USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 691 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 79 HIS : no HD1:sc= -1.01! C(o=-1.5!,f=-11!) USER MOD Set 1.2: A 84 SER OG : rot 93:sc= -0.476 USER MOD Set 2.1: A 83 CYS SG : rot 180:sc= -0.514! USER MOD Set 2.2: A 85 SER OG : rot -25:sc= 0.0523! USER MOD Set 3.1: A 48 ASN : amide:sc= -0.513! C(o=-0.51!,f=-11!) USER MOD Set 3.2: A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl -123:sc= -0.0182 (180deg=-0.356) USER MOD Single : A 1 MET N :NH3+ -125:sc= 0.028 (180deg=-0.596) USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.735 USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 15 GLN : amide:sc= 0.0139 K(o=0.014,f=-1.2!) USER MOD Single : A 17 SER OG : rot 77:sc= 0.00232 USER MOD Single : A 20 GLN : amide:sc= -0.275 K(o=-0.27,f=-2!) USER MOD Single : A 23 SER OG : rot -0:sc= 0.973 USER MOD Single : A 25 GLN : amide:sc=-0.00459 K(o=-0.0046,f=-1) USER MOD Single : A 26 CYS SG : rot 8:sc= 0.316 USER MOD Single : A 29 SER OG : rot 180:sc= -0.112 USER MOD Single : A 32 SER OG : rot 180:sc= -0.738! USER MOD Single : A 34 GLN : amide:sc= -3.65! K(o=-3.7!,f=-1.3) USER MOD Single : A 46 GLN : amide:sc= -3.46 K(o=-3.5,f=-9.9!) USER MOD Single : A 51 ASN : amide:sc= -0.827 K(o=-0.83,f=-8.6!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.28 K(o=-0.28,f=-1.9) USER MOD Single : A 59 THR OG1 : rot -42:sc= 0.269 USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= -1.07 K(o=-1.1,f=-2.4) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.0029 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 29:sc= 0.875 USER MOD Single : A 82 THR OG1 : rot 112:sc= 0.382 USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 149:sc= 0.306 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 51.967 -8.970 22.021 1.00 0.00 N ATOM 2 CA MET A 1 52.454 -9.645 20.787 1.00 0.00 C ATOM 3 C MET A 1 53.940 -9.338 20.621 1.00 0.00 C ATOM 4 O MET A 1 54.506 -8.548 21.379 1.00 0.00 O ATOM 5 CB MET A 1 51.659 -9.129 19.580 1.00 0.00 C ATOM 6 CG MET A 1 50.191 -9.554 19.711 1.00 0.00 C ATOM 7 SD MET A 1 50.052 -11.359 19.581 1.00 0.00 S ATOM 8 CE MET A 1 50.259 -11.507 17.784 1.00 0.00 C ATOM 0 H1 MET A 1 51.521 -9.671 22.647 1.00 0.00 H new ATOM 0 H2 MET A 1 52.769 -8.527 22.513 1.00 0.00 H new ATOM 0 H3 MET A 1 51.271 -8.241 21.766 1.00 0.00 H new ATOM 0 HA MET A 1 52.314 -10.724 20.859 1.00 0.00 H new ATOM 0 HB2 MET A 1 51.730 -8.043 19.523 1.00 0.00 H new ATOM 0 HB3 MET A 1 52.082 -9.525 18.657 1.00 0.00 H new ATOM 0 HG2 MET A 1 49.791 -9.218 20.668 1.00 0.00 H new ATOM 0 HG3 MET A 1 49.595 -9.078 18.932 1.00 0.00 H new ATOM 0 HE1 MET A 1 49.396 -12.019 17.359 1.00 0.00 H new ATOM 0 HE2 MET A 1 50.344 -10.513 17.344 1.00 0.00 H new ATOM 0 HE3 MET A 1 51.162 -12.078 17.568 1.00 0.00 H new ATOM 20 N ALA A 2 54.575 -9.967 19.638 1.00 0.00 N ATOM 21 CA ALA A 2 56.000 -9.744 19.409 1.00 0.00 C ATOM 22 C ALA A 2 56.431 -10.344 18.073 1.00 0.00 C ATOM 23 O ALA A 2 57.037 -11.414 18.032 1.00 0.00 O ATOM 24 CB ALA A 2 56.807 -10.380 20.543 1.00 0.00 C ATOM 0 H ALA A 2 54.135 -10.626 18.995 1.00 0.00 H new ATOM 0 HA ALA A 2 56.186 -8.670 19.384 1.00 0.00 H new ATOM 0 HB1 ALA A 2 57.870 -10.213 20.371 1.00 0.00 H new ATOM 0 HB2 ALA A 2 56.518 -9.929 21.492 1.00 0.00 H new ATOM 0 HB3 ALA A 2 56.608 -11.451 20.574 1.00 0.00 H new ATOM 30 N PRO A 3 56.127 -9.681 16.988 1.00 0.00 N ATOM 31 CA PRO A 3 56.484 -10.165 15.625 1.00 0.00 C ATOM 32 C PRO A 3 57.989 -10.120 15.363 1.00 0.00 C ATOM 33 O PRO A 3 58.697 -9.252 15.876 1.00 0.00 O ATOM 34 CB PRO A 3 55.695 -9.248 14.659 1.00 0.00 C ATOM 35 CG PRO A 3 54.864 -8.326 15.519 1.00 0.00 C ATOM 36 CD PRO A 3 55.425 -8.393 16.943 1.00 0.00 C ATOM 0 HA PRO A 3 56.223 -11.215 15.493 1.00 0.00 H new ATOM 0 HB2 PRO A 3 56.374 -8.678 14.025 1.00 0.00 H new ATOM 0 HB3 PRO A 3 55.060 -9.837 13.998 1.00 0.00 H new ATOM 0 HG2 PRO A 3 54.906 -7.306 15.138 1.00 0.00 H new ATOM 0 HG3 PRO A 3 53.817 -8.629 15.505 1.00 0.00 H new ATOM 0 HD2 PRO A 3 56.101 -7.563 17.145 1.00 0.00 H new ATOM 0 HD3 PRO A 3 54.630 -8.345 17.688 1.00 0.00 H new ATOM 44 N GLU A 4 58.461 -11.065 14.557 1.00 0.00 N ATOM 45 CA GLU A 4 59.876 -11.136 14.222 1.00 0.00 C ATOM 46 C GLU A 4 60.289 -9.915 13.403 1.00 0.00 C ATOM 47 O GLU A 4 59.553 -8.932 13.329 1.00 0.00 O ATOM 48 CB GLU A 4 60.165 -12.439 13.452 1.00 0.00 C ATOM 49 CG GLU A 4 59.666 -12.346 12.002 1.00 0.00 C ATOM 50 CD GLU A 4 58.175 -12.024 11.981 1.00 0.00 C ATOM 51 OE1 GLU A 4 57.777 -11.210 11.163 1.00 0.00 O ATOM 52 OE2 GLU A 4 57.453 -12.593 12.782 1.00 0.00 O1- ATOM 0 H GLU A 4 57.886 -11.789 14.126 1.00 0.00 H new ATOM 0 HA GLU A 4 60.462 -11.139 15.141 1.00 0.00 H new ATOM 0 HB2 GLU A 4 61.236 -12.639 13.459 1.00 0.00 H new ATOM 0 HB3 GLU A 4 59.681 -13.277 13.954 1.00 0.00 H new ATOM 0 HG2 GLU A 4 60.220 -11.575 11.467 1.00 0.00 H new ATOM 0 HG3 GLU A 4 59.850 -13.288 11.485 1.00 0.00 H new ATOM 59 N VAL A 5 61.467 -9.983 12.796 1.00 0.00 N ATOM 60 CA VAL A 5 61.965 -8.872 11.994 1.00 0.00 C ATOM 61 C VAL A 5 61.057 -8.657 10.789 1.00 0.00 C ATOM 62 O VAL A 5 60.651 -9.618 10.140 1.00 0.00 O ATOM 63 CB VAL A 5 63.392 -9.185 11.522 1.00 0.00 C ATOM 64 CG1 VAL A 5 64.116 -7.891 11.129 1.00 0.00 C ATOM 65 CG2 VAL A 5 64.154 -9.897 12.647 1.00 0.00 C ATOM 0 H VAL A 5 62.091 -10.788 12.843 1.00 0.00 H new ATOM 0 HA VAL A 5 61.974 -7.964 12.597 1.00 0.00 H new ATOM 0 HB VAL A 5 63.348 -9.835 10.648 1.00 0.00 H new ATOM 0 HG11 VAL A 5 65.127 -8.126 10.796 1.00 0.00 H new ATOM 0 HG12 VAL A 5 63.573 -7.401 10.321 1.00 0.00 H new ATOM 0 HG13 VAL A 5 64.164 -7.225 11.990 1.00 0.00 H new ATOM 0 HG21 VAL A 5 65.168 -10.121 12.315 1.00 0.00 H new ATOM 0 HG22 VAL A 5 64.194 -9.252 13.525 1.00 0.00 H new ATOM 0 HG23 VAL A 5 63.643 -10.825 12.902 1.00 0.00 H new ATOM 75 N THR A 6 60.727 -7.397 10.493 1.00 0.00 N ATOM 76 CA THR A 6 59.842 -7.100 9.349 1.00 0.00 C ATOM 77 C THR A 6 60.644 -6.557 8.172 1.00 0.00 C ATOM 78 O THR A 6 61.523 -5.721 8.351 1.00 0.00 O ATOM 79 CB THR A 6 58.774 -6.085 9.757 1.00 0.00 C ATOM 80 OG1 THR A 6 58.160 -6.514 10.965 1.00 0.00 O ATOM 81 CG2 THR A 6 57.711 -5.978 8.659 1.00 0.00 C ATOM 0 H THR A 6 61.047 -6.579 11.012 1.00 0.00 H new ATOM 0 HA THR A 6 59.358 -8.028 9.044 1.00 0.00 H new ATOM 0 HB THR A 6 59.239 -5.110 9.903 1.00 0.00 H new ATOM 0 HG1 THR A 6 57.475 -5.866 11.232 1.00 0.00 H new ATOM 0 HG21 THR A 6 56.953 -5.253 8.956 1.00 0.00 H new ATOM 0 HG22 THR A 6 58.179 -5.653 7.730 1.00 0.00 H new ATOM 0 HG23 THR A 6 57.244 -6.951 8.509 1.00 0.00 H new ATOM 89 N ILE A 7 60.346 -7.051 6.967 1.00 0.00 N ATOM 90 CA ILE A 7 61.056 -6.614 5.755 1.00 0.00 C ATOM 91 C ILE A 7 60.087 -6.019 4.729 1.00 0.00 C ATOM 92 O ILE A 7 59.231 -6.713 4.177 1.00 0.00 O ATOM 93 CB ILE A 7 61.814 -7.809 5.139 1.00 0.00 C ATOM 94 CG1 ILE A 7 63.115 -8.074 5.920 1.00 0.00 C ATOM 95 CG2 ILE A 7 62.179 -7.545 3.670 1.00 0.00 C ATOM 96 CD1 ILE A 7 62.830 -8.503 7.366 1.00 0.00 C ATOM 0 H ILE A 7 59.622 -7.750 6.802 1.00 0.00 H new ATOM 0 HA ILE A 7 61.767 -5.836 6.034 1.00 0.00 H new ATOM 0 HB ILE A 7 61.153 -8.674 5.195 1.00 0.00 H new ATOM 0 HG12 ILE A 7 63.690 -8.851 5.416 1.00 0.00 H new ATOM 0 HG13 ILE A 7 63.729 -7.173 5.922 1.00 0.00 H new ATOM 0 HG21 ILE A 7 62.712 -8.406 3.267 1.00 0.00 H new ATOM 0 HG22 ILE A 7 61.269 -7.379 3.093 1.00 0.00 H new ATOM 0 HG23 ILE A 7 62.815 -6.662 3.606 1.00 0.00 H new ATOM 0 HD11 ILE A 7 63.772 -8.681 7.885 1.00 0.00 H new ATOM 0 HD12 ILE A 7 62.277 -7.715 7.877 1.00 0.00 H new ATOM 0 HD13 ILE A 7 62.238 -9.418 7.364 1.00 0.00 H new ATOM 108 N LEU A 8 60.277 -4.735 4.455 1.00 0.00 N ATOM 109 CA LEU A 8 59.481 -4.010 3.461 1.00 0.00 C ATOM 110 C LEU A 8 60.432 -3.304 2.497 1.00 0.00 C ATOM 111 O LEU A 8 60.960 -2.237 2.810 1.00 0.00 O ATOM 112 CB LEU A 8 58.575 -2.983 4.145 1.00 0.00 C ATOM 113 CG LEU A 8 57.561 -3.703 5.045 1.00 0.00 C ATOM 114 CD1 LEU A 8 56.736 -2.661 5.805 1.00 0.00 C ATOM 115 CD2 LEU A 8 56.628 -4.600 4.197 1.00 0.00 C ATOM 0 H LEU A 8 60.986 -4.163 4.913 1.00 0.00 H new ATOM 0 HA LEU A 8 58.849 -4.713 2.917 1.00 0.00 H new ATOM 0 HB2 LEU A 8 59.175 -2.292 4.737 1.00 0.00 H new ATOM 0 HB3 LEU A 8 58.052 -2.389 3.395 1.00 0.00 H new ATOM 0 HG LEU A 8 58.096 -4.336 5.753 1.00 0.00 H new ATOM 0 HD11 LEU A 8 56.014 -3.166 6.446 1.00 0.00 H new ATOM 0 HD12 LEU A 8 57.398 -2.048 6.417 1.00 0.00 H new ATOM 0 HD13 LEU A 8 56.208 -2.026 5.094 1.00 0.00 H new ATOM 0 HD21 LEU A 8 55.915 -5.103 4.850 1.00 0.00 H new ATOM 0 HD22 LEU A 8 56.089 -3.985 3.476 1.00 0.00 H new ATOM 0 HD23 LEU A 8 57.222 -5.344 3.666 1.00 0.00 H new ATOM 127 N GLU A 9 60.677 -3.916 1.337 1.00 0.00 N ATOM 128 CA GLU A 9 61.604 -3.349 0.350 1.00 0.00 C ATOM 129 C GLU A 9 60.923 -3.125 -1.007 1.00 0.00 C ATOM 130 O GLU A 9 60.958 -4.006 -1.868 1.00 0.00 O ATOM 131 CB GLU A 9 62.791 -4.311 0.174 1.00 0.00 C ATOM 132 CG GLU A 9 62.286 -5.758 0.190 1.00 0.00 C ATOM 133 CD GLU A 9 63.367 -6.694 -0.342 1.00 0.00 C ATOM 134 OE1 GLU A 9 63.011 -7.715 -0.907 1.00 0.00 O ATOM 135 OE2 GLU A 9 64.535 -6.378 -0.177 1.00 0.00 O1- ATOM 0 H GLU A 9 60.250 -4.799 1.057 1.00 0.00 H new ATOM 0 HA GLU A 9 61.944 -2.380 0.715 1.00 0.00 H new ATOM 0 HB2 GLU A 9 63.304 -4.104 -0.766 1.00 0.00 H new ATOM 0 HB3 GLU A 9 63.517 -4.159 0.973 1.00 0.00 H new ATOM 0 HG2 GLU A 9 62.012 -6.045 1.205 1.00 0.00 H new ATOM 0 HG3 GLU A 9 61.386 -5.845 -0.419 1.00 0.00 H new ATOM 142 N PRO A 10 60.343 -1.964 -1.235 1.00 0.00 N ATOM 143 CA PRO A 10 59.696 -1.647 -2.538 1.00 0.00 C ATOM 144 C PRO A 10 60.764 -1.383 -3.605 1.00 0.00 C ATOM 145 O PRO A 10 60.457 -1.192 -4.782 1.00 0.00 O ATOM 146 CB PRO A 10 58.833 -0.391 -2.261 1.00 0.00 C ATOM 147 CG PRO A 10 59.030 -0.039 -0.805 1.00 0.00 C ATOM 148 CD PRO A 10 60.234 -0.841 -0.293 1.00 0.00 C ATOM 0 HA PRO A 10 59.085 -2.466 -2.918 1.00 0.00 H new ATOM 0 HB2 PRO A 10 59.136 0.436 -2.903 1.00 0.00 H new ATOM 0 HB3 PRO A 10 57.782 -0.590 -2.472 1.00 0.00 H new ATOM 0 HG2 PRO A 10 59.205 1.031 -0.690 1.00 0.00 H new ATOM 0 HG3 PRO A 10 58.137 -0.279 -0.229 1.00 0.00 H new ATOM 0 HD2 PRO A 10 61.141 -0.237 -0.286 1.00 0.00 H new ATOM 0 HD3 PRO A 10 60.076 -1.190 0.727 1.00 0.00 H new ATOM 156 N LEU A 11 62.021 -1.378 -3.164 1.00 0.00 N ATOM 157 CA LEU A 11 63.158 -1.145 -4.055 1.00 0.00 C ATOM 158 C LEU A 11 63.298 -2.296 -5.050 1.00 0.00 C ATOM 159 O LEU A 11 64.181 -3.141 -4.906 1.00 0.00 O ATOM 160 CB LEU A 11 64.442 -1.079 -3.224 1.00 0.00 C ATOM 161 CG LEU A 11 64.380 0.079 -2.216 1.00 0.00 C ATOM 162 CD1 LEU A 11 65.539 -0.066 -1.217 1.00 0.00 C ATOM 163 CD2 LEU A 11 64.489 1.434 -2.941 1.00 0.00 C ATOM 0 H LEU A 11 62.279 -1.534 -2.190 1.00 0.00 H new ATOM 0 HA LEU A 11 62.993 -0.211 -4.593 1.00 0.00 H new ATOM 0 HB2 LEU A 11 64.587 -2.021 -2.695 1.00 0.00 H new ATOM 0 HB3 LEU A 11 65.301 -0.948 -3.883 1.00 0.00 H new ATOM 0 HG LEU A 11 63.426 0.044 -1.690 1.00 0.00 H new ATOM 0 HD11 LEU A 11 65.503 0.752 -0.497 1.00 0.00 H new ATOM 0 HD12 LEU A 11 65.449 -1.017 -0.691 1.00 0.00 H new ATOM 0 HD13 LEU A 11 66.487 -0.036 -1.753 1.00 0.00 H new ATOM 0 HD21 LEU A 11 64.443 2.242 -2.211 1.00 0.00 H new ATOM 0 HD22 LEU A 11 65.436 1.484 -3.479 1.00 0.00 H new ATOM 0 HD23 LEU A 11 63.665 1.536 -3.647 1.00 0.00 H new ATOM 175 N GLN A 12 62.422 -2.338 -6.045 1.00 0.00 N ATOM 176 CA GLN A 12 62.455 -3.407 -7.043 1.00 0.00 C ATOM 177 C GLN A 12 63.650 -3.267 -7.984 1.00 0.00 C ATOM 178 O GLN A 12 64.380 -4.228 -8.228 1.00 0.00 O ATOM 179 CB GLN A 12 61.172 -3.363 -7.870 1.00 0.00 C ATOM 180 CG GLN A 12 59.979 -3.697 -6.977 1.00 0.00 C ATOM 181 CD GLN A 12 58.679 -3.498 -7.746 1.00 0.00 C ATOM 182 OE1 GLN A 12 58.695 -3.346 -8.968 1.00 0.00 O ATOM 183 NE2 GLN A 12 57.549 -3.475 -7.095 1.00 0.00 N ATOM 0 H GLN A 12 61.682 -1.650 -6.185 1.00 0.00 H new ATOM 0 HA GLN A 12 62.545 -4.355 -6.513 1.00 0.00 H new ATOM 0 HB2 GLN A 12 61.044 -2.374 -8.311 1.00 0.00 H new ATOM 0 HB3 GLN A 12 61.233 -4.074 -8.694 1.00 0.00 H new ATOM 0 HG2 GLN A 12 60.052 -4.728 -6.630 1.00 0.00 H new ATOM 0 HG3 GLN A 12 59.988 -3.061 -6.092 1.00 0.00 H new ATOM 0 HE21 GLN A 12 57.541 -3.601 -6.083 1.00 0.00 H new ATOM 0 HE22 GLN A 12 56.673 -3.331 -7.598 1.00 0.00 H new ATOM 192 N ASP A 13 63.824 -2.067 -8.525 1.00 0.00 N ATOM 193 CA ASP A 13 64.908 -1.798 -9.467 1.00 0.00 C ATOM 194 C ASP A 13 64.954 -0.309 -9.798 1.00 0.00 C ATOM 195 O ASP A 13 63.912 0.311 -9.998 1.00 0.00 O ATOM 196 CB ASP A 13 64.669 -2.590 -10.756 1.00 0.00 C ATOM 197 CG ASP A 13 65.790 -2.330 -11.757 1.00 0.00 C ATOM 198 OD1 ASP A 13 66.792 -1.761 -11.362 1.00 0.00 O ATOM 199 OD2 ASP A 13 65.625 -2.702 -12.909 1.00 0.00 O1- ATOM 0 H ASP A 13 63.228 -1.263 -8.328 1.00 0.00 H new ATOM 0 HA ASP A 13 65.854 -2.097 -9.016 1.00 0.00 H new ATOM 0 HB2 ASP A 13 64.614 -3.655 -10.531 1.00 0.00 H new ATOM 0 HB3 ASP A 13 63.711 -2.307 -11.192 1.00 0.00 H new ATOM 204 N VAL A 14 66.160 0.268 -9.854 1.00 0.00 N ATOM 205 CA VAL A 14 66.304 1.700 -10.167 1.00 0.00 C ATOM 206 C VAL A 14 67.243 1.898 -11.355 1.00 0.00 C ATOM 207 O VAL A 14 68.321 1.310 -11.411 1.00 0.00 O ATOM 208 CB VAL A 14 66.844 2.458 -8.942 1.00 0.00 C ATOM 209 CG1 VAL A 14 67.216 3.893 -9.334 1.00 0.00 C ATOM 210 CG2 VAL A 14 65.769 2.505 -7.851 1.00 0.00 C ATOM 0 H VAL A 14 67.039 -0.223 -9.690 1.00 0.00 H new ATOM 0 HA VAL A 14 65.322 2.096 -10.428 1.00 0.00 H new ATOM 0 HB VAL A 14 67.729 1.941 -8.571 1.00 0.00 H new ATOM 0 HG11 VAL A 14 67.597 4.422 -8.460 1.00 0.00 H new ATOM 0 HG12 VAL A 14 67.983 3.871 -10.108 1.00 0.00 H new ATOM 0 HG13 VAL A 14 66.333 4.407 -9.712 1.00 0.00 H new ATOM 0 HG21 VAL A 14 66.154 3.042 -6.984 1.00 0.00 H new ATOM 0 HG22 VAL A 14 64.885 3.017 -8.233 1.00 0.00 H new ATOM 0 HG23 VAL A 14 65.502 1.489 -7.559 1.00 0.00 H new ATOM 220 N GLN A 15 66.824 2.740 -12.303 1.00 0.00 N ATOM 221 CA GLN A 15 67.629 3.026 -13.494 1.00 0.00 C ATOM 222 C GLN A 15 67.659 4.528 -13.759 1.00 0.00 C ATOM 223 O GLN A 15 66.714 5.080 -14.318 1.00 0.00 O ATOM 224 CB GLN A 15 67.025 2.314 -14.705 1.00 0.00 C ATOM 225 CG GLN A 15 67.089 0.803 -14.487 1.00 0.00 C ATOM 226 CD GLN A 15 66.443 0.071 -15.656 1.00 0.00 C ATOM 227 OE1 GLN A 15 66.049 0.694 -16.642 1.00 0.00 O ATOM 228 NE2 GLN A 15 66.314 -1.225 -15.602 1.00 0.00 N ATOM 0 H GLN A 15 65.933 3.235 -12.269 1.00 0.00 H new ATOM 0 HA GLN A 15 68.645 2.670 -13.326 1.00 0.00 H new ATOM 0 HB2 GLN A 15 65.991 2.629 -14.848 1.00 0.00 H new ATOM 0 HB3 GLN A 15 67.569 2.586 -15.610 1.00 0.00 H new ATOM 0 HG2 GLN A 15 68.127 0.488 -14.381 1.00 0.00 H new ATOM 0 HG3 GLN A 15 66.580 0.541 -13.559 1.00 0.00 H new ATOM 0 HE21 GLN A 15 66.642 -1.736 -14.783 1.00 0.00 H new ATOM 0 HE22 GLN A 15 65.885 -1.728 -16.379 1.00 0.00 H new ATOM 237 N LEU A 16 68.744 5.189 -13.353 1.00 0.00 N ATOM 238 CA LEU A 16 68.879 6.639 -13.549 1.00 0.00 C ATOM 239 C LEU A 16 70.159 6.979 -14.300 1.00 0.00 C ATOM 240 O LEU A 16 71.211 6.391 -14.055 1.00 0.00 O ATOM 241 CB LEU A 16 68.882 7.337 -12.195 1.00 0.00 C ATOM 242 CG LEU A 16 67.573 7.034 -11.459 1.00 0.00 C ATOM 243 CD1 LEU A 16 67.635 7.649 -10.064 1.00 0.00 C ATOM 244 CD2 LEU A 16 66.375 7.617 -12.236 1.00 0.00 C ATOM 0 H LEU A 16 69.539 4.750 -12.889 1.00 0.00 H new ATOM 0 HA LEU A 16 68.033 6.983 -14.145 1.00 0.00 H new ATOM 0 HB2 LEU A 16 69.731 6.999 -11.602 1.00 0.00 H new ATOM 0 HB3 LEU A 16 68.995 8.413 -12.329 1.00 0.00 H new ATOM 0 HG LEU A 16 67.443 5.955 -11.382 1.00 0.00 H new ATOM 0 HD11 LEU A 16 66.707 7.439 -9.532 1.00 0.00 H new ATOM 0 HD12 LEU A 16 68.473 7.221 -9.515 1.00 0.00 H new ATOM 0 HD13 LEU A 16 67.769 8.728 -10.147 1.00 0.00 H new ATOM 0 HD21 LEU A 16 65.452 7.394 -11.702 1.00 0.00 H new ATOM 0 HD22 LEU A 16 66.491 8.697 -12.326 1.00 0.00 H new ATOM 0 HD23 LEU A 16 66.335 7.172 -13.230 1.00 0.00 H new ATOM 256 N SER A 17 70.059 7.940 -15.207 1.00 0.00 N ATOM 257 CA SER A 17 71.210 8.365 -15.991 1.00 0.00 C ATOM 258 C SER A 17 72.229 9.071 -15.102 1.00 0.00 C ATOM 259 O SER A 17 71.864 9.817 -14.191 1.00 0.00 O ATOM 260 CB SER A 17 70.753 9.303 -17.110 1.00 0.00 C ATOM 261 OG SER A 17 71.883 9.720 -17.865 1.00 0.00 O ATOM 0 H SER A 17 69.195 8.439 -15.418 1.00 0.00 H new ATOM 0 HA SER A 17 71.683 7.485 -16.428 1.00 0.00 H new ATOM 0 HB2 SER A 17 70.037 8.795 -17.756 1.00 0.00 H new ATOM 0 HB3 SER A 17 70.243 10.169 -16.688 1.00 0.00 H new ATOM 0 HG SER A 17 72.163 8.995 -18.462 1.00 0.00 H new ATOM 267 N GLU A 18 73.509 8.831 -15.367 1.00 0.00 N ATOM 268 CA GLU A 18 74.570 9.448 -14.579 1.00 0.00 C ATOM 269 C GLU A 18 74.358 10.952 -14.494 1.00 0.00 C ATOM 270 O GLU A 18 73.810 11.565 -15.409 1.00 0.00 O ATOM 271 CB GLU A 18 75.939 9.148 -15.200 1.00 0.00 C ATOM 272 CG GLU A 18 77.052 9.818 -14.375 1.00 0.00 C ATOM 273 CD GLU A 18 77.186 11.298 -14.739 1.00 0.00 C ATOM 274 OE1 GLU A 18 77.737 12.033 -13.937 1.00 0.00 O ATOM 275 OE2 GLU A 18 76.745 11.675 -15.813 1.00 0.00 O1- ATOM 0 H GLU A 18 73.835 8.219 -16.115 1.00 0.00 H new ATOM 0 HA GLU A 18 74.540 9.030 -13.573 1.00 0.00 H new ATOM 0 HB2 GLU A 18 76.102 8.071 -15.238 1.00 0.00 H new ATOM 0 HB3 GLU A 18 75.968 9.511 -16.227 1.00 0.00 H new ATOM 0 HG2 GLU A 18 76.832 9.719 -13.312 1.00 0.00 H new ATOM 0 HG3 GLU A 18 77.999 9.308 -14.553 1.00 0.00 H new ATOM 282 N GLY A 19 74.791 11.541 -13.385 1.00 0.00 N ATOM 283 CA GLY A 19 74.638 12.975 -13.186 1.00 0.00 C ATOM 284 C GLY A 19 73.216 13.306 -12.756 1.00 0.00 C ATOM 285 O GLY A 19 72.787 14.456 -12.826 1.00 0.00 O ATOM 0 H GLY A 19 75.247 11.051 -12.616 1.00 0.00 H new ATOM 0 HA2 GLY A 19 75.342 13.320 -12.429 1.00 0.00 H new ATOM 0 HA3 GLY A 19 74.877 13.504 -14.109 1.00 0.00 H new ATOM 289 N GLN A 20 72.490 12.282 -12.301 1.00 0.00 N ATOM 290 CA GLN A 20 71.107 12.461 -11.848 1.00 0.00 C ATOM 291 C GLN A 20 71.012 12.152 -10.359 1.00 0.00 C ATOM 292 O GLN A 20 71.737 11.297 -9.847 1.00 0.00 O ATOM 293 CB GLN A 20 70.168 11.528 -12.625 1.00 0.00 C ATOM 294 CG GLN A 20 68.710 11.901 -12.335 1.00 0.00 C ATOM 295 CD GLN A 20 68.386 13.269 -12.928 1.00 0.00 C ATOM 296 OE1 GLN A 20 68.511 14.287 -12.247 1.00 0.00 O ATOM 297 NE2 GLN A 20 67.976 13.355 -14.164 1.00 0.00 N ATOM 0 H GLN A 20 72.834 11.324 -12.236 1.00 0.00 H new ATOM 0 HA GLN A 20 70.809 13.494 -12.027 1.00 0.00 H new ATOM 0 HB2 GLN A 20 70.367 11.604 -13.694 1.00 0.00 H new ATOM 0 HB3 GLN A 20 70.352 10.492 -12.340 1.00 0.00 H new ATOM 0 HG2 GLN A 20 68.044 11.148 -12.756 1.00 0.00 H new ATOM 0 HG3 GLN A 20 68.538 11.913 -11.259 1.00 0.00 H new ATOM 0 HE21 GLN A 20 67.873 12.511 -14.727 1.00 0.00 H new ATOM 0 HE22 GLN A 20 67.759 14.266 -14.567 1.00 0.00 H new ATOM 306 N ASP A 21 70.119 12.844 -9.663 1.00 0.00 N ATOM 307 CA ASP A 21 69.961 12.613 -8.236 1.00 0.00 C ATOM 308 C ASP A 21 69.329 11.248 -8.007 1.00 0.00 C ATOM 309 O ASP A 21 68.390 10.862 -8.702 1.00 0.00 O ATOM 310 CB ASP A 21 69.081 13.701 -7.616 1.00 0.00 C ATOM 311 CG ASP A 21 69.738 15.067 -7.789 1.00 0.00 C ATOM 312 OD1 ASP A 21 69.865 15.772 -6.799 1.00 0.00 O ATOM 313 OD2 ASP A 21 70.102 15.390 -8.906 1.00 0.00 O1- ATOM 0 H ASP A 21 69.504 13.557 -10.056 1.00 0.00 H new ATOM 0 HA ASP A 21 70.942 12.643 -7.762 1.00 0.00 H new ATOM 0 HB2 ASP A 21 68.099 13.699 -8.089 1.00 0.00 H new ATOM 0 HB3 ASP A 21 68.926 13.495 -6.557 1.00 0.00 H new ATOM 318 N ALA A 22 69.860 10.512 -7.034 1.00 0.00 N ATOM 319 CA ALA A 22 69.354 9.176 -6.726 1.00 0.00 C ATOM 320 C ALA A 22 69.140 9.027 -5.227 1.00 0.00 C ATOM 321 O ALA A 22 69.769 9.721 -4.426 1.00 0.00 O ATOM 322 CB ALA A 22 70.350 8.127 -7.220 1.00 0.00 C ATOM 0 H ALA A 22 70.637 10.816 -6.447 1.00 0.00 H new ATOM 0 HA ALA A 22 68.398 9.031 -7.229 1.00 0.00 H new ATOM 0 HB1 ALA A 22 69.973 7.130 -6.990 1.00 0.00 H new ATOM 0 HB2 ALA A 22 70.479 8.227 -8.298 1.00 0.00 H new ATOM 0 HB3 ALA A 22 71.310 8.275 -6.725 1.00 0.00 H new ATOM 328 N SER A 23 68.240 8.123 -4.852 1.00 0.00 N ATOM 329 CA SER A 23 67.938 7.900 -3.441 1.00 0.00 C ATOM 330 C SER A 23 67.312 6.520 -3.226 1.00 0.00 C ATOM 331 O SER A 23 66.787 5.911 -4.158 1.00 0.00 O ATOM 332 CB SER A 23 66.994 8.993 -2.937 1.00 0.00 C ATOM 333 OG SER A 23 67.731 10.193 -2.748 1.00 0.00 O ATOM 0 H SER A 23 67.711 7.538 -5.498 1.00 0.00 H new ATOM 0 HA SER A 23 68.870 7.939 -2.877 1.00 0.00 H new ATOM 0 HB2 SER A 23 66.189 9.155 -3.654 1.00 0.00 H new ATOM 0 HB3 SER A 23 66.529 8.686 -2.000 1.00 0.00 H new ATOM 0 HG SER A 23 68.671 10.039 -2.977 1.00 0.00 H new ATOM 339 N PHE A 24 67.381 6.035 -1.985 1.00 0.00 N ATOM 340 CA PHE A 24 66.833 4.724 -1.627 1.00 0.00 C ATOM 341 C PHE A 24 66.085 4.809 -0.292 1.00 0.00 C ATOM 342 O PHE A 24 66.452 5.599 0.579 1.00 0.00 O ATOM 343 CB PHE A 24 67.978 3.710 -1.512 1.00 0.00 C ATOM 344 CG PHE A 24 68.443 3.293 -2.889 1.00 0.00 C ATOM 345 CD1 PHE A 24 69.249 4.147 -3.654 1.00 0.00 C ATOM 346 CD2 PHE A 24 68.079 2.041 -3.395 1.00 0.00 C ATOM 347 CE1 PHE A 24 69.680 3.748 -4.925 1.00 0.00 C ATOM 348 CE2 PHE A 24 68.508 1.643 -4.663 1.00 0.00 C ATOM 349 CZ PHE A 24 69.312 2.494 -5.428 1.00 0.00 C ATOM 0 H PHE A 24 67.813 6.533 -1.207 1.00 0.00 H new ATOM 0 HA PHE A 24 66.135 4.405 -2.401 1.00 0.00 H new ATOM 0 HB2 PHE A 24 68.807 4.148 -0.957 1.00 0.00 H new ATOM 0 HB3 PHE A 24 67.645 2.836 -0.952 1.00 0.00 H new ATOM 0 HD1 PHE A 24 69.537 5.112 -3.264 1.00 0.00 H new ATOM 0 HD2 PHE A 24 67.464 1.380 -2.803 1.00 0.00 H new ATOM 0 HE1 PHE A 24 70.296 4.408 -5.518 1.00 0.00 H new ATOM 0 HE2 PHE A 24 68.219 0.678 -5.053 1.00 0.00 H new ATOM 0 HZ PHE A 24 69.649 2.184 -6.406 1.00 0.00 H new ATOM 359 N GLN A 25 65.041 3.988 -0.125 1.00 0.00 N ATOM 360 CA GLN A 25 64.269 3.987 1.123 1.00 0.00 C ATOM 361 C GLN A 25 63.783 2.577 1.464 1.00 0.00 C ATOM 362 O GLN A 25 63.085 1.938 0.676 1.00 0.00 O ATOM 363 CB GLN A 25 63.073 4.948 1.014 1.00 0.00 C ATOM 364 CG GLN A 25 62.457 4.861 -0.385 1.00 0.00 C ATOM 365 CD GLN A 25 61.246 5.782 -0.478 1.00 0.00 C ATOM 366 OE1 GLN A 25 60.545 5.984 0.510 1.00 0.00 O ATOM 367 NE2 GLN A 25 60.961 6.361 -1.613 1.00 0.00 N ATOM 0 H GLN A 25 64.715 3.325 -0.828 1.00 0.00 H new ATOM 0 HA GLN A 25 64.923 4.327 1.926 1.00 0.00 H new ATOM 0 HB2 GLN A 25 62.325 4.697 1.766 1.00 0.00 H new ATOM 0 HB3 GLN A 25 63.397 5.969 1.215 1.00 0.00 H new ATOM 0 HG2 GLN A 25 63.196 5.141 -1.135 1.00 0.00 H new ATOM 0 HG3 GLN A 25 62.161 3.834 -0.598 1.00 0.00 H new ATOM 0 HE21 GLN A 25 61.544 6.192 -2.432 1.00 0.00 H new ATOM 0 HE22 GLN A 25 60.155 6.982 -1.680 1.00 0.00 H new ATOM 376 N CYS A 26 64.158 2.104 2.656 1.00 0.00 N ATOM 377 CA CYS A 26 63.765 0.773 3.125 1.00 0.00 C ATOM 378 C CYS A 26 63.309 0.839 4.580 1.00 0.00 C ATOM 379 O CYS A 26 63.901 1.546 5.391 1.00 0.00 O ATOM 380 CB CYS A 26 64.944 -0.200 3.000 1.00 0.00 C ATOM 381 SG CYS A 26 64.322 -1.899 2.988 1.00 0.00 S ATOM 0 H CYS A 26 64.735 2.626 3.316 1.00 0.00 H new ATOM 0 HA CYS A 26 62.939 0.418 2.508 1.00 0.00 H new ATOM 0 HB2 CYS A 26 65.501 0.002 2.085 1.00 0.00 H new ATOM 0 HB3 CYS A 26 65.635 -0.060 3.831 1.00 0.00 H new ATOM 0 HG CYS A 26 63.024 -1.885 2.920 1.00 0.00 H new ATOM 387 N ARG A 27 62.247 0.102 4.900 1.00 0.00 N ATOM 388 CA ARG A 27 61.706 0.079 6.262 1.00 0.00 C ATOM 389 C ARG A 27 61.687 -1.343 6.792 1.00 0.00 C ATOM 390 O ARG A 27 61.159 -2.245 6.142 1.00 0.00 O ATOM 391 CB ARG A 27 60.278 0.622 6.248 1.00 0.00 C ATOM 392 CG ARG A 27 59.827 0.936 7.680 1.00 0.00 C ATOM 393 CD ARG A 27 58.436 1.573 7.647 1.00 0.00 C ATOM 394 NE ARG A 27 57.435 0.603 7.212 1.00 0.00 N ATOM 395 CZ ARG A 27 56.807 -0.184 8.084 1.00 0.00 C ATOM 396 NH1 ARG A 27 55.519 -0.072 8.250 1.00 0.00 N1+ ATOM 397 NH2 ARG A 27 57.475 -1.068 8.774 1.00 0.00 N ATOM 0 H ARG A 27 61.743 -0.487 4.237 1.00 0.00 H new ATOM 0 HA ARG A 27 62.336 0.695 6.904 1.00 0.00 H new ATOM 0 HB2 ARG A 27 60.228 1.522 5.636 1.00 0.00 H new ATOM 0 HB3 ARG A 27 59.606 -0.108 5.797 1.00 0.00 H new ATOM 0 HG2 ARG A 27 59.807 0.023 8.275 1.00 0.00 H new ATOM 0 HG3 ARG A 27 60.537 1.612 8.157 1.00 0.00 H new ATOM 0 HD2 ARG A 27 58.179 1.949 8.637 1.00 0.00 H new ATOM 0 HD3 ARG A 27 58.438 2.429 6.972 1.00 0.00 H new ATOM 0 HE ARG A 27 57.212 0.526 6.220 1.00 0.00 H new ATOM 0 HH11 ARG A 27 54.994 0.618 7.713 1.00 0.00 H new ATOM 0 HH12 ARG A 27 55.037 -0.674 8.917 1.00 0.00 H new ATOM 0 HH21 ARG A 27 58.483 -1.159 8.647 1.00 0.00 H new ATOM 0 HH22 ARG A 27 56.989 -1.668 9.440 1.00 0.00 H new ATOM 411 N LEU A 28 62.258 -1.550 7.976 1.00 0.00 N ATOM 412 CA LEU A 28 62.275 -2.887 8.563 1.00 0.00 C ATOM 413 C LEU A 28 62.110 -2.827 10.075 1.00 0.00 C ATOM 414 O LEU A 28 62.767 -2.043 10.746 1.00 0.00 O ATOM 415 CB LEU A 28 63.582 -3.612 8.189 1.00 0.00 C ATOM 416 CG LEU A 28 64.826 -2.845 8.728 1.00 0.00 C ATOM 417 CD1 LEU A 28 65.341 -3.500 10.019 1.00 0.00 C ATOM 418 CD2 LEU A 28 65.955 -2.884 7.688 1.00 0.00 C ATOM 0 H LEU A 28 62.706 -0.826 8.538 1.00 0.00 H new ATOM 0 HA LEU A 28 61.432 -3.448 8.159 1.00 0.00 H new ATOM 0 HB2 LEU A 28 63.570 -4.623 8.597 1.00 0.00 H new ATOM 0 HB3 LEU A 28 63.651 -3.707 7.105 1.00 0.00 H new ATOM 0 HG LEU A 28 64.530 -1.815 8.928 1.00 0.00 H new ATOM 0 HD11 LEU A 28 66.210 -2.952 10.383 1.00 0.00 H new ATOM 0 HD12 LEU A 28 64.556 -3.480 10.775 1.00 0.00 H new ATOM 0 HD13 LEU A 28 65.622 -4.533 9.816 1.00 0.00 H new ATOM 0 HD21 LEU A 28 66.822 -2.346 8.072 1.00 0.00 H new ATOM 0 HD22 LEU A 28 66.230 -3.920 7.488 1.00 0.00 H new ATOM 0 HD23 LEU A 28 65.616 -2.414 6.765 1.00 0.00 H new ATOM 430 N SER A 29 61.231 -3.674 10.605 1.00 0.00 N ATOM 431 CA SER A 29 61.018 -3.708 12.043 1.00 0.00 C ATOM 432 C SER A 29 62.284 -4.205 12.700 1.00 0.00 C ATOM 433 O SER A 29 63.121 -4.834 12.048 1.00 0.00 O ATOM 434 CB SER A 29 59.842 -4.608 12.423 1.00 0.00 C ATOM 435 OG SER A 29 59.709 -4.624 13.838 1.00 0.00 O ATOM 0 H SER A 29 60.666 -4.333 10.069 1.00 0.00 H new ATOM 0 HA SER A 29 60.776 -2.702 12.386 1.00 0.00 H new ATOM 0 HB2 SER A 29 58.924 -4.242 11.963 1.00 0.00 H new ATOM 0 HB3 SER A 29 60.005 -5.619 12.049 1.00 0.00 H new ATOM 0 HG SER A 29 58.955 -5.198 14.089 1.00 0.00 H new ATOM 441 N ARG A 30 62.430 -3.898 13.975 1.00 0.00 N ATOM 442 CA ARG A 30 63.622 -4.272 14.711 1.00 0.00 C ATOM 443 C ARG A 30 63.942 -5.751 14.562 1.00 0.00 C ATOM 444 O ARG A 30 63.111 -6.545 14.119 1.00 0.00 O ATOM 445 CB ARG A 30 63.410 -3.935 16.183 1.00 0.00 C ATOM 446 CG ARG A 30 62.289 -4.807 16.755 1.00 0.00 C ATOM 447 CD ARG A 30 61.986 -4.371 18.189 1.00 0.00 C ATOM 448 NE ARG A 30 60.979 -5.248 18.780 1.00 0.00 N ATOM 449 CZ ARG A 30 59.680 -5.038 18.582 1.00 0.00 C ATOM 450 NH1 ARG A 30 58.894 -6.044 18.314 1.00 0.00 N1+ ATOM 451 NH2 ARG A 30 59.192 -3.828 18.654 1.00 0.00 N ATOM 0 H ARG A 30 61.736 -3.390 14.523 1.00 0.00 H new ATOM 0 HA ARG A 30 64.467 -3.716 14.306 1.00 0.00 H new ATOM 0 HB2 ARG A 30 64.332 -4.099 16.740 1.00 0.00 H new ATOM 0 HB3 ARG A 30 63.155 -2.881 16.292 1.00 0.00 H new ATOM 0 HG2 ARG A 30 61.394 -4.717 16.139 1.00 0.00 H new ATOM 0 HG3 ARG A 30 62.585 -5.856 16.737 1.00 0.00 H new ATOM 0 HD2 ARG A 30 62.898 -4.398 18.786 1.00 0.00 H new ATOM 0 HD3 ARG A 30 61.631 -3.340 18.196 1.00 0.00 H new ATOM 0 HE ARG A 30 61.277 -6.036 19.355 1.00 0.00 H new ATOM 0 HH11 ARG A 30 59.276 -6.988 18.257 1.00 0.00 H new ATOM 0 HH12 ARG A 30 57.898 -5.886 18.162 1.00 0.00 H new ATOM 0 HH21 ARG A 30 59.807 -3.042 18.862 1.00 0.00 H new ATOM 0 HH22 ARG A 30 58.196 -3.670 18.502 1.00 0.00 H new ATOM 465 N ALA A 31 65.174 -6.098 14.918 1.00 0.00 N ATOM 466 CA ALA A 31 65.653 -7.468 14.812 1.00 0.00 C ATOM 467 C ALA A 31 64.914 -8.392 15.781 1.00 0.00 C ATOM 468 O ALA A 31 64.114 -7.940 16.599 1.00 0.00 O ATOM 469 CB ALA A 31 67.151 -7.501 15.115 1.00 0.00 C ATOM 0 H ALA A 31 65.863 -5.442 15.285 1.00 0.00 H new ATOM 0 HA ALA A 31 65.465 -7.822 13.798 1.00 0.00 H new ATOM 0 HB1 ALA A 31 67.515 -8.525 15.037 1.00 0.00 H new ATOM 0 HB2 ALA A 31 67.681 -6.872 14.400 1.00 0.00 H new ATOM 0 HB3 ALA A 31 67.326 -7.129 16.125 1.00 0.00 H new ATOM 475 N SER A 32 65.203 -9.694 15.688 1.00 0.00 N ATOM 476 CA SER A 32 64.579 -10.687 16.569 1.00 0.00 C ATOM 477 C SER A 32 65.631 -11.692 17.008 1.00 0.00 C ATOM 478 O SER A 32 65.880 -11.870 18.201 1.00 0.00 O ATOM 479 CB SER A 32 63.448 -11.421 15.842 1.00 0.00 C ATOM 480 OG SER A 32 63.999 -12.446 15.025 1.00 0.00 O ATOM 0 H SER A 32 65.862 -10.084 15.014 1.00 0.00 H new ATOM 0 HA SER A 32 64.161 -10.176 17.436 1.00 0.00 H new ATOM 0 HB2 SER A 32 62.754 -11.850 16.565 1.00 0.00 H new ATOM 0 HB3 SER A 32 62.879 -10.720 15.231 1.00 0.00 H new ATOM 0 HG SER A 32 63.277 -12.918 14.560 1.00 0.00 H new ATOM 486 N GLY A 33 66.266 -12.323 16.023 1.00 0.00 N ATOM 487 CA GLY A 33 67.328 -13.294 16.283 1.00 0.00 C ATOM 488 C GLY A 33 68.677 -12.662 15.964 1.00 0.00 C ATOM 489 O GLY A 33 69.489 -12.421 16.856 1.00 0.00 O ATOM 0 H GLY A 33 66.063 -12.179 15.034 1.00 0.00 H new ATOM 0 HA2 GLY A 33 67.299 -13.611 17.325 1.00 0.00 H new ATOM 0 HA3 GLY A 33 67.178 -14.186 15.674 1.00 0.00 H new ATOM 493 N GLN A 34 68.903 -12.380 14.677 1.00 0.00 N ATOM 494 CA GLN A 34 70.148 -11.750 14.233 1.00 0.00 C ATOM 495 C GLN A 34 69.849 -10.449 13.493 1.00 0.00 C ATOM 496 O GLN A 34 68.865 -10.354 12.756 1.00 0.00 O ATOM 497 CB GLN A 34 70.934 -12.702 13.321 1.00 0.00 C ATOM 498 CG GLN A 34 70.147 -12.972 12.036 1.00 0.00 C ATOM 499 CD GLN A 34 70.879 -14.017 11.197 1.00 0.00 C ATOM 500 OE1 GLN A 34 71.512 -14.921 11.746 1.00 0.00 O ATOM 501 NE2 GLN A 34 70.841 -13.947 9.893 1.00 0.00 N ATOM 0 H GLN A 34 68.241 -12.578 13.927 1.00 0.00 H new ATOM 0 HA GLN A 34 70.753 -11.526 15.112 1.00 0.00 H new ATOM 0 HB2 GLN A 34 71.903 -12.267 13.078 1.00 0.00 H new ATOM 0 HB3 GLN A 34 71.127 -13.640 13.842 1.00 0.00 H new ATOM 0 HG2 GLN A 34 69.144 -13.323 12.279 1.00 0.00 H new ATOM 0 HG3 GLN A 34 70.032 -12.049 11.467 1.00 0.00 H new ATOM 0 HE21 GLN A 34 70.318 -13.199 9.437 1.00 0.00 H new ATOM 0 HE22 GLN A 34 71.335 -14.640 9.330 1.00 0.00 H new ATOM 510 N GLU A 35 70.705 -9.450 13.688 1.00 0.00 N ATOM 511 CA GLU A 35 70.523 -8.164 13.030 1.00 0.00 C ATOM 512 C GLU A 35 70.801 -8.284 11.535 1.00 0.00 C ATOM 513 O GLU A 35 71.665 -9.055 11.116 1.00 0.00 O ATOM 514 CB GLU A 35 71.460 -7.110 13.636 1.00 0.00 C ATOM 515 CG GLU A 35 72.909 -7.628 13.658 1.00 0.00 C ATOM 516 CD GLU A 35 73.133 -8.528 14.871 1.00 0.00 C ATOM 517 OE1 GLU A 35 73.679 -9.606 14.697 1.00 0.00 O ATOM 518 OE2 GLU A 35 72.757 -8.122 15.958 1.00 0.00 O1- ATOM 0 H GLU A 35 71.525 -9.507 14.292 1.00 0.00 H new ATOM 0 HA GLU A 35 69.489 -7.854 13.180 1.00 0.00 H new ATOM 0 HB2 GLU A 35 71.405 -6.189 13.056 1.00 0.00 H new ATOM 0 HB3 GLU A 35 71.138 -6.868 14.649 1.00 0.00 H new ATOM 0 HG2 GLU A 35 73.118 -8.182 12.743 1.00 0.00 H new ATOM 0 HG3 GLU A 35 73.602 -6.787 13.688 1.00 0.00 H new ATOM 525 N ALA A 36 70.074 -7.508 10.737 1.00 0.00 N ATOM 526 CA ALA A 36 70.269 -7.525 9.293 1.00 0.00 C ATOM 527 C ALA A 36 71.578 -6.825 8.953 1.00 0.00 C ATOM 528 O ALA A 36 72.075 -6.025 9.744 1.00 0.00 O ATOM 529 CB ALA A 36 69.106 -6.826 8.593 1.00 0.00 C ATOM 0 H ALA A 36 69.351 -6.866 11.062 1.00 0.00 H new ATOM 0 HA ALA A 36 70.309 -8.559 8.949 1.00 0.00 H new ATOM 0 HB1 ALA A 36 69.265 -6.846 7.515 1.00 0.00 H new ATOM 0 HB2 ALA A 36 68.175 -7.340 8.832 1.00 0.00 H new ATOM 0 HB3 ALA A 36 69.046 -5.792 8.932 1.00 0.00 H new ATOM 535 N ARG A 37 72.149 -7.141 7.788 1.00 0.00 N ATOM 536 CA ARG A 37 73.424 -6.539 7.378 1.00 0.00 C ATOM 537 C ARG A 37 73.311 -5.849 6.028 1.00 0.00 C ATOM 538 O ARG A 37 72.764 -6.395 5.077 1.00 0.00 O ATOM 539 CB ARG A 37 74.497 -7.623 7.311 1.00 0.00 C ATOM 540 CG ARG A 37 74.719 -8.164 8.721 1.00 0.00 C ATOM 541 CD ARG A 37 75.791 -9.252 8.710 1.00 0.00 C ATOM 542 NE ARG A 37 75.936 -9.802 10.054 1.00 0.00 N ATOM 543 CZ ARG A 37 76.965 -10.570 10.381 1.00 0.00 C ATOM 544 NH1 ARG A 37 77.572 -10.389 11.519 1.00 0.00 N1+ ATOM 545 NH2 ARG A 37 77.360 -11.510 9.569 1.00 0.00 N ATOM 0 H ARG A 37 71.756 -7.802 7.118 1.00 0.00 H new ATOM 0 HA ARG A 37 73.695 -5.785 8.117 1.00 0.00 H new ATOM 0 HB2 ARG A 37 74.186 -8.425 6.641 1.00 0.00 H new ATOM 0 HB3 ARG A 37 75.425 -7.215 6.910 1.00 0.00 H new ATOM 0 HG2 ARG A 37 75.020 -7.354 9.385 1.00 0.00 H new ATOM 0 HG3 ARG A 37 73.786 -8.568 9.114 1.00 0.00 H new ATOM 0 HD2 ARG A 37 75.517 -10.041 8.010 1.00 0.00 H new ATOM 0 HD3 ARG A 37 76.741 -8.839 8.369 1.00 0.00 H new ATOM 0 HE ARG A 37 75.229 -9.590 10.758 1.00 0.00 H new ATOM 0 HH11 ARG A 37 77.255 -9.658 12.156 1.00 0.00 H new ATOM 0 HH12 ARG A 37 78.364 -10.979 11.774 1.00 0.00 H new ATOM 0 HH21 ARG A 37 76.877 -11.654 8.682 1.00 0.00 H new ATOM 0 HH22 ARG A 37 78.152 -12.101 9.820 1.00 0.00 H new ATOM 559 N TRP A 38 73.852 -4.635 5.968 1.00 0.00 N ATOM 560 CA TRP A 38 73.844 -3.829 4.746 1.00 0.00 C ATOM 561 C TRP A 38 75.202 -3.966 4.052 1.00 0.00 C ATOM 562 O TRP A 38 76.216 -4.146 4.722 1.00 0.00 O ATOM 563 CB TRP A 38 73.577 -2.364 5.137 1.00 0.00 C ATOM 564 CG TRP A 38 72.987 -1.604 3.990 1.00 0.00 C ATOM 565 CD1 TRP A 38 73.602 -0.601 3.330 1.00 0.00 C ATOM 566 CD2 TRP A 38 71.676 -1.756 3.372 1.00 0.00 C ATOM 567 NE1 TRP A 38 72.755 -0.123 2.348 1.00 0.00 N ATOM 568 CE2 TRP A 38 71.554 -0.804 2.331 1.00 0.00 C ATOM 569 CE3 TRP A 38 70.589 -2.614 3.613 1.00 0.00 C ATOM 570 CZ2 TRP A 38 70.400 -0.714 1.552 1.00 0.00 C ATOM 571 CZ3 TRP A 38 69.427 -2.526 2.831 1.00 0.00 C ATOM 572 CH2 TRP A 38 69.331 -1.576 1.805 1.00 0.00 C ATOM 0 H TRP A 38 74.307 -4.182 6.760 1.00 0.00 H new ATOM 0 HA TRP A 38 73.067 -4.166 4.059 1.00 0.00 H new ATOM 0 HB2 TRP A 38 72.898 -2.329 5.989 1.00 0.00 H new ATOM 0 HB3 TRP A 38 74.508 -1.892 5.451 1.00 0.00 H new ATOM 0 HD1 TRP A 38 74.596 -0.231 3.536 1.00 0.00 H new ATOM 0 HE1 TRP A 38 72.989 0.640 1.713 1.00 0.00 H new ATOM 0 HE3 TRP A 38 70.648 -3.346 4.405 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 70.334 0.017 0.759 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 68.601 -3.195 3.021 1.00 0.00 H new ATOM 0 HH2 TRP A 38 68.431 -1.511 1.211 1.00 0.00 H new ATOM 583 N ALA A 39 75.236 -3.903 2.717 1.00 0.00 N ATOM 584 CA ALA A 39 76.511 -4.049 2.012 1.00 0.00 C ATOM 585 C ALA A 39 76.384 -3.773 0.516 1.00 0.00 C ATOM 586 O ALA A 39 75.361 -4.063 -0.102 1.00 0.00 O ATOM 587 CB ALA A 39 77.046 -5.472 2.200 1.00 0.00 C ATOM 0 H ALA A 39 74.423 -3.757 2.119 1.00 0.00 H new ATOM 0 HA ALA A 39 77.195 -3.315 2.437 1.00 0.00 H new ATOM 0 HB1 ALA A 39 77.995 -5.576 1.674 1.00 0.00 H new ATOM 0 HB2 ALA A 39 77.197 -5.667 3.262 1.00 0.00 H new ATOM 0 HB3 ALA A 39 76.328 -6.187 1.798 1.00 0.00 H new ATOM 593 N LEU A 40 77.459 -3.231 -0.059 1.00 0.00 N ATOM 594 CA LEU A 40 77.519 -2.934 -1.492 1.00 0.00 C ATOM 595 C LEU A 40 78.741 -3.625 -2.076 1.00 0.00 C ATOM 596 O LEU A 40 79.867 -3.354 -1.669 1.00 0.00 O ATOM 597 CB LEU A 40 77.612 -1.415 -1.714 1.00 0.00 C ATOM 598 CG LEU A 40 77.971 -1.102 -3.178 1.00 0.00 C ATOM 599 CD1 LEU A 40 77.009 -1.828 -4.127 1.00 0.00 C ATOM 600 CD2 LEU A 40 77.854 0.407 -3.411 1.00 0.00 C ATOM 0 H LEU A 40 78.308 -2.987 0.451 1.00 0.00 H new ATOM 0 HA LEU A 40 76.617 -3.296 -1.985 1.00 0.00 H new ATOM 0 HB2 LEU A 40 76.662 -0.946 -1.459 1.00 0.00 H new ATOM 0 HB3 LEU A 40 78.365 -0.991 -1.050 1.00 0.00 H new ATOM 0 HG LEU A 40 78.989 -1.438 -3.374 1.00 0.00 H new ATOM 0 HD11 LEU A 40 77.274 -1.598 -5.159 1.00 0.00 H new ATOM 0 HD12 LEU A 40 77.080 -2.903 -3.965 1.00 0.00 H new ATOM 0 HD13 LEU A 40 75.988 -1.499 -3.932 1.00 0.00 H new ATOM 0 HD21 LEU A 40 78.107 0.636 -4.446 1.00 0.00 H new ATOM 0 HD22 LEU A 40 76.833 0.728 -3.207 1.00 0.00 H new ATOM 0 HD23 LEU A 40 78.539 0.932 -2.745 1.00 0.00 H new ATOM 612 N GLY A 41 78.522 -4.527 -3.022 1.00 0.00 N ATOM 613 CA GLY A 41 79.631 -5.248 -3.624 1.00 0.00 C ATOM 614 C GLY A 41 80.132 -6.319 -2.663 1.00 0.00 C ATOM 615 O GLY A 41 81.163 -6.950 -2.894 1.00 0.00 O ATOM 0 H GLY A 41 77.601 -4.774 -3.384 1.00 0.00 H new ATOM 0 HA2 GLY A 41 79.313 -5.706 -4.560 1.00 0.00 H new ATOM 0 HA3 GLY A 41 80.438 -4.556 -3.865 1.00 0.00 H new ATOM 619 N GLY A 42 79.382 -6.515 -1.575 1.00 0.00 N ATOM 620 CA GLY A 42 79.733 -7.512 -0.563 1.00 0.00 C ATOM 621 C GLY A 42 80.452 -6.884 0.634 1.00 0.00 C ATOM 622 O GLY A 42 80.798 -7.586 1.582 1.00 0.00 O ATOM 0 H GLY A 42 78.528 -5.996 -1.373 1.00 0.00 H new ATOM 0 HA2 GLY A 42 78.829 -8.015 -0.220 1.00 0.00 H new ATOM 0 HA3 GLY A 42 80.371 -8.274 -1.010 1.00 0.00 H new ATOM 626 N VAL A 43 80.684 -5.564 0.591 1.00 0.00 N ATOM 627 CA VAL A 43 81.378 -4.868 1.690 1.00 0.00 C ATOM 628 C VAL A 43 80.455 -3.836 2.385 1.00 0.00 C ATOM 629 O VAL A 43 79.616 -3.223 1.728 1.00 0.00 O ATOM 630 CB VAL A 43 82.601 -4.142 1.125 1.00 0.00 C ATOM 631 CG1 VAL A 43 83.673 -5.160 0.737 1.00 0.00 C ATOM 632 CG2 VAL A 43 82.184 -3.352 -0.114 1.00 0.00 C ATOM 0 H VAL A 43 80.406 -4.960 -0.183 1.00 0.00 H new ATOM 0 HA VAL A 43 81.675 -5.611 2.430 1.00 0.00 H new ATOM 0 HB VAL A 43 83.003 -3.466 1.880 1.00 0.00 H new ATOM 0 HG11 VAL A 43 84.542 -4.638 0.335 1.00 0.00 H new ATOM 0 HG12 VAL A 43 83.968 -5.731 1.617 1.00 0.00 H new ATOM 0 HG13 VAL A 43 83.275 -5.837 -0.019 1.00 0.00 H new ATOM 0 HG21 VAL A 43 83.050 -2.832 -0.522 1.00 0.00 H new ATOM 0 HG22 VAL A 43 81.784 -4.035 -0.864 1.00 0.00 H new ATOM 0 HG23 VAL A 43 81.419 -2.625 0.159 1.00 0.00 H new ATOM 642 N PRO A 44 80.605 -3.612 3.688 1.00 0.00 N ATOM 643 CA PRO A 44 79.766 -2.607 4.425 1.00 0.00 C ATOM 644 C PRO A 44 79.899 -1.190 3.838 1.00 0.00 C ATOM 645 O PRO A 44 80.973 -0.795 3.382 1.00 0.00 O ATOM 646 CB PRO A 44 80.287 -2.631 5.886 1.00 0.00 C ATOM 647 CG PRO A 44 81.378 -3.673 5.964 1.00 0.00 C ATOM 648 CD PRO A 44 81.557 -4.307 4.573 1.00 0.00 C ATOM 0 HA PRO A 44 78.709 -2.861 4.350 1.00 0.00 H new ATOM 0 HB2 PRO A 44 80.671 -1.652 6.172 1.00 0.00 H new ATOM 0 HB3 PRO A 44 79.479 -2.870 6.577 1.00 0.00 H new ATOM 0 HG2 PRO A 44 82.312 -3.218 6.295 1.00 0.00 H new ATOM 0 HG3 PRO A 44 81.119 -4.437 6.697 1.00 0.00 H new ATOM 0 HD2 PRO A 44 82.580 -4.187 4.217 1.00 0.00 H new ATOM 0 HD3 PRO A 44 81.353 -5.377 4.602 1.00 0.00 H new ATOM 656 N LEU A 45 78.799 -0.427 3.878 1.00 0.00 N ATOM 657 CA LEU A 45 78.800 0.951 3.371 1.00 0.00 C ATOM 658 C LEU A 45 79.172 1.922 4.491 1.00 0.00 C ATOM 659 O LEU A 45 78.802 1.717 5.648 1.00 0.00 O ATOM 660 CB LEU A 45 77.415 1.340 2.827 1.00 0.00 C ATOM 661 CG LEU A 45 77.175 0.683 1.466 1.00 0.00 C ATOM 662 CD1 LEU A 45 77.106 -0.843 1.618 1.00 0.00 C ATOM 663 CD2 LEU A 45 75.851 1.198 0.889 1.00 0.00 C ATOM 0 H LEU A 45 77.903 -0.738 4.253 1.00 0.00 H new ATOM 0 HA LEU A 45 79.532 1.007 2.565 1.00 0.00 H new ATOM 0 HB2 LEU A 45 76.641 1.031 3.529 1.00 0.00 H new ATOM 0 HB3 LEU A 45 77.345 2.424 2.733 1.00 0.00 H new ATOM 0 HG LEU A 45 77.998 0.933 0.796 1.00 0.00 H new ATOM 0 HD11 LEU A 45 76.935 -1.298 0.643 1.00 0.00 H new ATOM 0 HD12 LEU A 45 78.046 -1.210 2.030 1.00 0.00 H new ATOM 0 HD13 LEU A 45 76.288 -1.105 2.289 1.00 0.00 H new ATOM 0 HD21 LEU A 45 75.672 0.735 -0.081 1.00 0.00 H new ATOM 0 HD22 LEU A 45 75.036 0.946 1.567 1.00 0.00 H new ATOM 0 HD23 LEU A 45 75.902 2.280 0.770 1.00 0.00 H new ATOM 675 N GLN A 46 79.896 2.989 4.141 1.00 0.00 N ATOM 676 CA GLN A 46 80.305 4.001 5.123 1.00 0.00 C ATOM 677 C GLN A 46 79.799 5.377 4.694 1.00 0.00 C ATOM 678 O GLN A 46 79.581 5.627 3.508 1.00 0.00 O ATOM 679 CB GLN A 46 81.842 4.020 5.279 1.00 0.00 C ATOM 680 CG GLN A 46 82.527 3.722 3.937 1.00 0.00 C ATOM 681 CD GLN A 46 82.261 4.851 2.950 1.00 0.00 C ATOM 682 OE1 GLN A 46 82.049 5.995 3.353 1.00 0.00 O ATOM 683 NE2 GLN A 46 82.267 4.599 1.669 1.00 0.00 N ATOM 0 H GLN A 46 80.211 3.175 3.189 1.00 0.00 H new ATOM 0 HA GLN A 46 79.867 3.746 6.088 1.00 0.00 H new ATOM 0 HB2 GLN A 46 82.163 4.994 5.649 1.00 0.00 H new ATOM 0 HB3 GLN A 46 82.147 3.281 6.020 1.00 0.00 H new ATOM 0 HG2 GLN A 46 83.600 3.605 4.086 1.00 0.00 H new ATOM 0 HG3 GLN A 46 82.157 2.780 3.532 1.00 0.00 H new ATOM 0 HE21 GLN A 46 82.443 3.651 1.337 1.00 0.00 H new ATOM 0 HE22 GLN A 46 82.096 5.350 1.001 1.00 0.00 H new ATOM 692 N ALA A 47 79.591 6.258 5.672 1.00 0.00 N ATOM 693 CA ALA A 47 79.084 7.601 5.395 1.00 0.00 C ATOM 694 C ALA A 47 80.040 8.386 4.506 1.00 0.00 C ATOM 695 O ALA A 47 80.756 9.273 4.975 1.00 0.00 O ATOM 696 CB ALA A 47 78.871 8.360 6.704 1.00 0.00 C ATOM 0 H ALA A 47 79.765 6.067 6.659 1.00 0.00 H new ATOM 0 HA ALA A 47 78.135 7.495 4.869 1.00 0.00 H new ATOM 0 HB1 ALA A 47 78.493 9.359 6.488 1.00 0.00 H new ATOM 0 HB2 ALA A 47 78.149 7.825 7.322 1.00 0.00 H new ATOM 0 HB3 ALA A 47 79.818 8.438 7.238 1.00 0.00 H new ATOM 702 N ASN A 48 80.028 8.066 3.219 1.00 0.00 N ATOM 703 CA ASN A 48 80.880 8.753 2.257 1.00 0.00 C ATOM 704 C ASN A 48 80.322 10.149 1.983 1.00 0.00 C ATOM 705 O ASN A 48 79.180 10.447 2.332 1.00 0.00 O ATOM 706 CB ASN A 48 80.947 7.939 0.956 1.00 0.00 C ATOM 707 CG ASN A 48 82.188 8.318 0.155 1.00 0.00 C ATOM 708 OD1 ASN A 48 82.687 9.438 0.267 1.00 0.00 O ATOM 709 ND2 ASN A 48 82.721 7.437 -0.646 1.00 0.00 N ATOM 0 H ASN A 48 79.439 7.337 2.817 1.00 0.00 H new ATOM 0 HA ASN A 48 81.887 8.851 2.664 1.00 0.00 H new ATOM 0 HB2 ASN A 48 80.967 6.874 1.187 1.00 0.00 H new ATOM 0 HB3 ASN A 48 80.052 8.120 0.360 1.00 0.00 H new ATOM 0 HD21 ASN A 48 83.555 7.675 -1.183 1.00 0.00 H new ATOM 0 HD22 ASN A 48 82.304 6.511 -0.735 1.00 0.00 H new ATOM 716 N GLU A 49 81.122 11.006 1.365 1.00 0.00 N ATOM 717 CA GLU A 49 80.672 12.361 1.069 1.00 0.00 C ATOM 718 C GLU A 49 79.471 12.342 0.125 1.00 0.00 C ATOM 719 O GLU A 49 78.536 13.121 0.291 1.00 0.00 O ATOM 720 CB GLU A 49 81.803 13.168 0.436 1.00 0.00 C ATOM 721 CG GLU A 49 82.897 13.418 1.475 1.00 0.00 C ATOM 722 CD GLU A 49 84.096 14.091 0.819 1.00 0.00 C ATOM 723 OE1 GLU A 49 85.058 14.358 1.521 1.00 0.00 O ATOM 724 OE2 GLU A 49 84.037 14.328 -0.376 1.00 0.00 O1- ATOM 0 H GLU A 49 82.072 10.793 1.062 1.00 0.00 H new ATOM 0 HA GLU A 49 80.374 12.828 2.008 1.00 0.00 H new ATOM 0 HB2 GLU A 49 82.214 12.629 -0.418 1.00 0.00 H new ATOM 0 HB3 GLU A 49 81.420 14.117 0.060 1.00 0.00 H new ATOM 0 HG2 GLU A 49 82.511 14.047 2.277 1.00 0.00 H new ATOM 0 HG3 GLU A 49 83.202 12.475 1.928 1.00 0.00 H new ATOM 731 N MET A 50 79.501 11.453 -0.870 1.00 0.00 N ATOM 732 CA MET A 50 78.399 11.358 -1.832 1.00 0.00 C ATOM 733 C MET A 50 77.288 10.450 -1.310 1.00 0.00 C ATOM 734 O MET A 50 76.176 10.455 -1.837 1.00 0.00 O ATOM 735 CB MET A 50 78.907 10.811 -3.173 1.00 0.00 C ATOM 736 CG MET A 50 79.794 9.585 -2.938 1.00 0.00 C ATOM 737 SD MET A 50 80.208 8.839 -4.535 1.00 0.00 S ATOM 738 CE MET A 50 80.997 7.341 -3.900 1.00 0.00 C ATOM 0 H MET A 50 80.265 10.796 -1.031 1.00 0.00 H new ATOM 0 HA MET A 50 77.997 12.361 -1.973 1.00 0.00 H new ATOM 0 HB2 MET A 50 78.063 10.543 -3.809 1.00 0.00 H new ATOM 0 HB3 MET A 50 79.470 11.582 -3.699 1.00 0.00 H new ATOM 0 HG2 MET A 50 80.703 9.874 -2.411 1.00 0.00 H new ATOM 0 HG3 MET A 50 79.277 8.862 -2.308 1.00 0.00 H new ATOM 0 HE1 MET A 50 81.333 6.725 -4.734 1.00 0.00 H new ATOM 0 HE2 MET A 50 81.853 7.614 -3.283 1.00 0.00 H new ATOM 0 HE3 MET A 50 80.281 6.779 -3.300 1.00 0.00 H new ATOM 748 N ASN A 51 77.596 9.663 -0.281 1.00 0.00 N ATOM 749 CA ASN A 51 76.618 8.739 0.302 1.00 0.00 C ATOM 750 C ASN A 51 76.494 8.967 1.803 1.00 0.00 C ATOM 751 O ASN A 51 77.476 8.859 2.534 1.00 0.00 O ATOM 752 CB ASN A 51 77.058 7.299 0.039 1.00 0.00 C ATOM 753 CG ASN A 51 75.894 6.346 0.274 1.00 0.00 C ATOM 754 OD1 ASN A 51 75.052 6.592 1.137 1.00 0.00 O ATOM 755 ND2 ASN A 51 75.795 5.270 -0.454 1.00 0.00 N ATOM 0 H ASN A 51 78.512 9.645 0.167 1.00 0.00 H new ATOM 0 HA ASN A 51 75.647 8.919 -0.160 1.00 0.00 H new ATOM 0 HB2 ASN A 51 77.417 7.201 -0.986 1.00 0.00 H new ATOM 0 HB3 ASN A 51 77.889 7.039 0.694 1.00 0.00 H new ATOM 0 HD21 ASN A 51 75.017 4.627 -0.310 1.00 0.00 H new ATOM 0 HD22 ASN A 51 76.496 5.071 -1.168 1.00 0.00 H new ATOM 762 N ASP A 52 75.278 9.261 2.262 1.00 0.00 N ATOM 763 CA ASP A 52 75.036 9.486 3.687 1.00 0.00 C ATOM 764 C ASP A 52 73.944 8.549 4.172 1.00 0.00 C ATOM 765 O ASP A 52 72.867 8.471 3.580 1.00 0.00 O ATOM 766 CB ASP A 52 74.627 10.940 3.931 1.00 0.00 C ATOM 767 CG ASP A 52 75.824 11.854 3.696 1.00 0.00 C ATOM 768 OD1 ASP A 52 75.613 13.043 3.519 1.00 0.00 O ATOM 769 OD2 ASP A 52 76.936 11.352 3.699 1.00 0.00 O1- ATOM 0 H ASP A 52 74.450 9.349 1.673 1.00 0.00 H new ATOM 0 HA ASP A 52 75.953 9.286 4.240 1.00 0.00 H new ATOM 0 HB2 ASP A 52 73.810 11.215 3.264 1.00 0.00 H new ATOM 0 HB3 ASP A 52 74.260 11.059 4.951 1.00 0.00 H new ATOM 774 N ILE A 53 74.239 7.829 5.248 1.00 0.00 N ATOM 775 CA ILE A 53 73.291 6.880 5.816 1.00 0.00 C ATOM 776 C ILE A 53 72.724 7.428 7.115 1.00 0.00 C ATOM 777 O ILE A 53 73.471 7.869 7.991 1.00 0.00 O ATOM 778 CB ILE A 53 74.000 5.556 6.086 1.00 0.00 C ATOM 779 CG1 ILE A 53 74.618 5.034 4.790 1.00 0.00 C ATOM 780 CG2 ILE A 53 72.983 4.539 6.593 1.00 0.00 C ATOM 781 CD1 ILE A 53 75.487 3.815 5.090 1.00 0.00 C ATOM 0 H ILE A 53 75.128 7.885 5.745 1.00 0.00 H new ATOM 0 HA ILE A 53 72.475 6.721 5.111 1.00 0.00 H new ATOM 0 HB ILE A 53 74.781 5.707 6.831 1.00 0.00 H new ATOM 0 HG12 ILE A 53 73.833 4.768 4.083 1.00 0.00 H new ATOM 0 HG13 ILE A 53 75.218 5.814 4.322 1.00 0.00 H new ATOM 0 HG21 ILE A 53 73.483 3.590 6.788 1.00 0.00 H new ATOM 0 HG22 ILE A 53 72.529 4.906 7.514 1.00 0.00 H new ATOM 0 HG23 ILE A 53 72.208 4.393 5.840 1.00 0.00 H new ATOM 0 HD11 ILE A 53 75.927 3.445 4.164 1.00 0.00 H new ATOM 0 HD12 ILE A 53 76.281 4.096 5.782 1.00 0.00 H new ATOM 0 HD13 ILE A 53 74.874 3.033 5.539 1.00 0.00 H new ATOM 793 N THR A 54 71.398 7.416 7.230 1.00 0.00 N ATOM 794 CA THR A 54 70.737 7.932 8.428 1.00 0.00 C ATOM 795 C THR A 54 69.501 7.102 8.767 1.00 0.00 C ATOM 796 O THR A 54 68.835 6.568 7.882 1.00 0.00 O ATOM 797 CB THR A 54 70.338 9.389 8.186 1.00 0.00 C ATOM 798 OG1 THR A 54 69.493 9.835 9.236 1.00 0.00 O ATOM 799 CG2 THR A 54 69.607 9.501 6.845 1.00 0.00 C ATOM 0 H THR A 54 70.764 7.058 6.516 1.00 0.00 H new ATOM 0 HA THR A 54 71.426 7.870 9.270 1.00 0.00 H new ATOM 0 HB THR A 54 71.232 10.012 8.162 1.00 0.00 H new ATOM 0 HG1 THR A 54 69.241 10.769 9.079 1.00 0.00 H new ATOM 0 HG21 THR A 54 69.322 10.539 6.671 1.00 0.00 H new ATOM 0 HG22 THR A 54 70.265 9.166 6.043 1.00 0.00 H new ATOM 0 HG23 THR A 54 68.713 8.878 6.865 1.00 0.00 H new ATOM 807 N VAL A 55 69.205 6.995 10.062 1.00 0.00 N ATOM 808 CA VAL A 55 68.051 6.225 10.532 1.00 0.00 C ATOM 809 C VAL A 55 66.986 7.158 11.101 1.00 0.00 C ATOM 810 O VAL A 55 67.282 8.043 11.904 1.00 0.00 O ATOM 811 CB VAL A 55 68.499 5.226 11.604 1.00 0.00 C ATOM 812 CG1 VAL A 55 69.265 4.079 10.939 1.00 0.00 C ATOM 813 CG2 VAL A 55 69.418 5.921 12.614 1.00 0.00 C ATOM 0 H VAL A 55 69.749 7.432 10.806 1.00 0.00 H new ATOM 0 HA VAL A 55 67.623 5.681 9.690 1.00 0.00 H new ATOM 0 HB VAL A 55 67.621 4.838 12.120 1.00 0.00 H new ATOM 0 HG11 VAL A 55 69.585 3.366 11.699 1.00 0.00 H new ATOM 0 HG12 VAL A 55 68.617 3.577 10.221 1.00 0.00 H new ATOM 0 HG13 VAL A 55 70.139 4.476 10.423 1.00 0.00 H new ATOM 0 HG21 VAL A 55 69.732 5.205 13.373 1.00 0.00 H new ATOM 0 HG22 VAL A 55 70.295 6.312 12.099 1.00 0.00 H new ATOM 0 HG23 VAL A 55 68.881 6.742 13.090 1.00 0.00 H new ATOM 823 N GLU A 56 65.742 6.962 10.668 1.00 0.00 N ATOM 824 CA GLU A 56 64.627 7.794 11.125 1.00 0.00 C ATOM 825 C GLU A 56 63.669 6.974 11.982 1.00 0.00 C ATOM 826 O GLU A 56 63.959 5.822 12.308 1.00 0.00 O ATOM 827 CB GLU A 56 63.888 8.362 9.915 1.00 0.00 C ATOM 828 CG GLU A 56 64.812 9.334 9.176 1.00 0.00 C ATOM 829 CD GLU A 56 64.137 9.840 7.905 1.00 0.00 C ATOM 830 OE1 GLU A 56 63.041 9.389 7.619 1.00 0.00 O ATOM 831 OE2 GLU A 56 64.730 10.672 7.237 1.00 0.00 O1- ATOM 0 H GLU A 56 65.479 6.235 10.002 1.00 0.00 H new ATOM 0 HA GLU A 56 65.018 8.612 11.729 1.00 0.00 H new ATOM 0 HB2 GLU A 56 63.580 7.556 9.249 1.00 0.00 H new ATOM 0 HB3 GLU A 56 62.981 8.875 10.235 1.00 0.00 H new ATOM 0 HG2 GLU A 56 65.060 10.175 9.824 1.00 0.00 H new ATOM 0 HG3 GLU A 56 65.749 8.837 8.926 1.00 0.00 H new ATOM 838 N GLN A 57 62.538 7.590 12.348 1.00 0.00 N ATOM 839 CA GLN A 57 61.515 6.945 13.185 1.00 0.00 C ATOM 840 C GLN A 57 61.553 5.424 13.058 1.00 0.00 C ATOM 841 O GLN A 57 61.818 4.886 11.983 1.00 0.00 O ATOM 842 CB GLN A 57 60.126 7.456 12.787 1.00 0.00 C ATOM 843 CG GLN A 57 59.055 6.894 13.732 1.00 0.00 C ATOM 844 CD GLN A 57 59.288 7.398 15.153 1.00 0.00 C ATOM 845 OE1 GLN A 57 59.969 8.404 15.352 1.00 0.00 O ATOM 846 NE2 GLN A 57 58.752 6.760 16.157 1.00 0.00 N ATOM 0 H GLN A 57 62.306 8.545 12.075 1.00 0.00 H new ATOM 0 HA GLN A 57 61.727 7.200 14.223 1.00 0.00 H new ATOM 0 HB2 GLN A 57 60.110 8.545 12.817 1.00 0.00 H new ATOM 0 HB3 GLN A 57 59.904 7.162 11.761 1.00 0.00 H new ATOM 0 HG2 GLN A 57 58.064 7.194 13.390 1.00 0.00 H new ATOM 0 HG3 GLN A 57 59.081 5.804 13.716 1.00 0.00 H new ATOM 0 HE21 GLN A 57 58.188 5.927 15.989 1.00 0.00 H new ATOM 0 HE22 GLN A 57 58.897 7.095 17.110 1.00 0.00 H new ATOM 855 N GLY A 58 61.289 4.741 14.165 1.00 0.00 N ATOM 856 CA GLY A 58 61.305 3.286 14.167 1.00 0.00 C ATOM 857 C GLY A 58 62.666 2.765 13.725 1.00 0.00 C ATOM 858 O GLY A 58 63.599 2.681 14.525 1.00 0.00 O ATOM 0 H GLY A 58 61.064 5.167 15.064 1.00 0.00 H new ATOM 0 HA2 GLY A 58 61.075 2.916 15.166 1.00 0.00 H new ATOM 0 HA3 GLY A 58 60.530 2.907 13.500 1.00 0.00 H new ATOM 862 N THR A 59 62.778 2.415 12.448 1.00 0.00 N ATOM 863 CA THR A 59 64.036 1.903 11.920 1.00 0.00 C ATOM 864 C THR A 59 64.045 1.985 10.399 1.00 0.00 C ATOM 865 O THR A 59 64.119 0.965 9.708 1.00 0.00 O ATOM 866 CB THR A 59 64.217 0.451 12.366 1.00 0.00 C ATOM 867 OG1 THR A 59 63.981 0.357 13.763 1.00 0.00 O ATOM 868 CG2 THR A 59 65.641 -0.019 12.056 1.00 0.00 C ATOM 0 H THR A 59 62.022 2.476 11.766 1.00 0.00 H new ATOM 0 HA THR A 59 64.858 2.508 12.303 1.00 0.00 H new ATOM 0 HB THR A 59 63.509 -0.181 11.829 1.00 0.00 H new ATOM 0 HG1 THR A 59 64.402 1.116 14.218 1.00 0.00 H new ATOM 0 HG21 THR A 59 65.761 -1.054 12.377 1.00 0.00 H new ATOM 0 HG22 THR A 59 65.822 0.051 10.983 1.00 0.00 H new ATOM 0 HG23 THR A 59 66.355 0.610 12.587 1.00 0.00 H new ATOM 876 N LEU A 60 63.956 3.210 9.880 1.00 0.00 N ATOM 877 CA LEU A 60 63.944 3.435 8.432 1.00 0.00 C ATOM 878 C LEU A 60 65.292 3.968 7.952 1.00 0.00 C ATOM 879 O LEU A 60 65.736 5.036 8.378 1.00 0.00 O ATOM 880 CB LEU A 60 62.828 4.439 8.099 1.00 0.00 C ATOM 881 CG LEU A 60 62.575 4.510 6.569 1.00 0.00 C ATOM 882 CD1 LEU A 60 61.092 4.798 6.310 1.00 0.00 C ATOM 883 CD2 LEU A 60 63.402 5.640 5.937 1.00 0.00 C ATOM 0 H LEU A 60 63.891 4.061 10.439 1.00 0.00 H new ATOM 0 HA LEU A 60 63.760 2.489 7.922 1.00 0.00 H new ATOM 0 HB2 LEU A 60 61.910 4.148 8.609 1.00 0.00 H new ATOM 0 HB3 LEU A 60 63.101 5.426 8.471 1.00 0.00 H new ATOM 0 HG LEU A 60 62.864 3.556 6.129 1.00 0.00 H new ATOM 0 HD11 LEU A 60 60.913 4.848 5.236 1.00 0.00 H new ATOM 0 HD12 LEU A 60 60.486 4.002 6.742 1.00 0.00 H new ATOM 0 HD13 LEU A 60 60.821 5.749 6.768 1.00 0.00 H new ATOM 0 HD21 LEU A 60 63.211 5.674 4.864 1.00 0.00 H new ATOM 0 HD22 LEU A 60 63.120 6.592 6.386 1.00 0.00 H new ATOM 0 HD23 LEU A 60 64.462 5.456 6.111 1.00 0.00 H new ATOM 895 N HIS A 61 65.927 3.229 7.043 1.00 0.00 N ATOM 896 CA HIS A 61 67.216 3.640 6.484 1.00 0.00 C ATOM 897 C HIS A 61 66.992 4.476 5.224 1.00 0.00 C ATOM 898 O HIS A 61 66.018 4.268 4.504 1.00 0.00 O ATOM 899 CB HIS A 61 68.058 2.405 6.139 1.00 0.00 C ATOM 900 CG HIS A 61 68.504 1.731 7.408 1.00 0.00 C ATOM 901 ND1 HIS A 61 67.684 0.861 8.112 1.00 0.00 N ATOM 902 CD2 HIS A 61 69.680 1.796 8.120 1.00 0.00 C ATOM 903 CE1 HIS A 61 68.369 0.444 9.194 1.00 0.00 C ATOM 904 NE2 HIS A 61 69.591 0.985 9.247 1.00 0.00 N ATOM 0 H HIS A 61 65.572 2.345 6.678 1.00 0.00 H new ATOM 0 HA HIS A 61 67.747 4.238 7.225 1.00 0.00 H new ATOM 0 HB2 HIS A 61 67.475 1.712 5.532 1.00 0.00 H new ATOM 0 HB3 HIS A 61 68.925 2.697 5.546 1.00 0.00 H new ATOM 0 HD2 HIS A 61 70.541 2.387 7.846 1.00 0.00 H new ATOM 0 HE1 HIS A 61 67.979 -0.244 9.930 1.00 0.00 H new ATOM 0 HE2 HIS A 61 70.304 0.835 9.960 1.00 0.00 H new ATOM 912 N LEU A 62 67.892 5.426 4.960 1.00 0.00 N ATOM 913 CA LEU A 62 67.763 6.283 3.775 1.00 0.00 C ATOM 914 C LEU A 62 69.137 6.750 3.304 1.00 0.00 C ATOM 915 O LEU A 62 69.824 7.504 4.002 1.00 0.00 O ATOM 916 CB LEU A 62 66.874 7.500 4.100 1.00 0.00 C ATOM 917 CG LEU A 62 66.490 8.265 2.807 1.00 0.00 C ATOM 918 CD1 LEU A 62 65.202 9.074 3.044 1.00 0.00 C ATOM 919 CD2 LEU A 62 67.620 9.228 2.380 1.00 0.00 C ATOM 0 H LEU A 62 68.708 5.621 5.540 1.00 0.00 H new ATOM 0 HA LEU A 62 67.299 5.706 2.975 1.00 0.00 H new ATOM 0 HB2 LEU A 62 65.971 7.169 4.613 1.00 0.00 H new ATOM 0 HB3 LEU A 62 67.401 8.169 4.780 1.00 0.00 H new ATOM 0 HG LEU A 62 66.331 7.534 2.014 1.00 0.00 H new ATOM 0 HD11 LEU A 62 64.936 9.610 2.133 1.00 0.00 H new ATOM 0 HD12 LEU A 62 64.392 8.397 3.316 1.00 0.00 H new ATOM 0 HD13 LEU A 62 65.364 9.789 3.851 1.00 0.00 H new ATOM 0 HD21 LEU A 62 67.327 9.753 1.471 1.00 0.00 H new ATOM 0 HD22 LEU A 62 67.801 9.952 3.175 1.00 0.00 H new ATOM 0 HD23 LEU A 62 68.531 8.660 2.193 1.00 0.00 H new ATOM 931 N LEU A 63 69.523 6.304 2.106 1.00 0.00 N ATOM 932 CA LEU A 63 70.804 6.681 1.512 1.00 0.00 C ATOM 933 C LEU A 63 70.605 7.841 0.544 1.00 0.00 C ATOM 934 O LEU A 63 69.949 7.687 -0.490 1.00 0.00 O ATOM 935 CB LEU A 63 71.410 5.472 0.769 1.00 0.00 C ATOM 936 CG LEU A 63 72.263 4.618 1.720 1.00 0.00 C ATOM 937 CD1 LEU A 63 71.481 4.308 3.005 1.00 0.00 C ATOM 938 CD2 LEU A 63 72.633 3.302 1.026 1.00 0.00 C ATOM 0 H LEU A 63 68.962 5.678 1.527 1.00 0.00 H new ATOM 0 HA LEU A 63 71.487 6.993 2.302 1.00 0.00 H new ATOM 0 HB2 LEU A 63 70.612 4.864 0.344 1.00 0.00 H new ATOM 0 HB3 LEU A 63 72.023 5.820 -0.062 1.00 0.00 H new ATOM 0 HG LEU A 63 73.166 5.172 1.978 1.00 0.00 H new ATOM 0 HD11 LEU A 63 72.098 3.702 3.669 1.00 0.00 H new ATOM 0 HD12 LEU A 63 71.217 5.240 3.504 1.00 0.00 H new ATOM 0 HD13 LEU A 63 70.572 3.761 2.755 1.00 0.00 H new ATOM 0 HD21 LEU A 63 73.238 2.694 1.698 1.00 0.00 H new ATOM 0 HD22 LEU A 63 71.724 2.760 0.766 1.00 0.00 H new ATOM 0 HD23 LEU A 63 73.200 3.515 0.120 1.00 0.00 H new ATOM 950 N THR A 64 71.184 8.997 0.864 1.00 0.00 N ATOM 951 CA THR A 64 71.066 10.157 -0.016 1.00 0.00 C ATOM 952 C THR A 64 72.268 10.209 -0.944 1.00 0.00 C ATOM 953 O THR A 64 73.388 10.487 -0.511 1.00 0.00 O ATOM 954 CB THR A 64 71.005 11.452 0.802 1.00 0.00 C ATOM 955 OG1 THR A 64 69.896 11.402 1.690 1.00 0.00 O ATOM 956 CG2 THR A 64 70.853 12.646 -0.149 1.00 0.00 C ATOM 0 H THR A 64 71.730 9.154 1.711 1.00 0.00 H new ATOM 0 HA THR A 64 70.148 10.063 -0.596 1.00 0.00 H new ATOM 0 HB THR A 64 71.922 11.563 1.380 1.00 0.00 H new ATOM 0 HG1 THR A 64 69.859 12.229 2.214 1.00 0.00 H new ATOM 0 HG21 THR A 64 70.809 13.569 0.430 1.00 0.00 H new ATOM 0 HG22 THR A 64 71.706 12.683 -0.826 1.00 0.00 H new ATOM 0 HG23 THR A 64 69.935 12.536 -0.727 1.00 0.00 H new ATOM 964 N LEU A 65 72.031 9.930 -2.220 1.00 0.00 N ATOM 965 CA LEU A 65 73.103 9.936 -3.214 1.00 0.00 C ATOM 966 C LEU A 65 73.074 11.228 -4.025 1.00 0.00 C ATOM 967 O LEU A 65 72.024 11.655 -4.507 1.00 0.00 O ATOM 968 CB LEU A 65 72.946 8.738 -4.156 1.00 0.00 C ATOM 969 CG LEU A 65 72.859 7.434 -3.350 1.00 0.00 C ATOM 970 CD1 LEU A 65 72.608 6.270 -4.314 1.00 0.00 C ATOM 971 CD2 LEU A 65 74.173 7.191 -2.591 1.00 0.00 C ATOM 0 H LEU A 65 71.110 9.697 -2.592 1.00 0.00 H new ATOM 0 HA LEU A 65 74.058 9.868 -2.693 1.00 0.00 H new ATOM 0 HB2 LEU A 65 72.049 8.859 -4.763 1.00 0.00 H new ATOM 0 HB3 LEU A 65 73.791 8.693 -4.843 1.00 0.00 H new ATOM 0 HG LEU A 65 72.044 7.509 -2.630 1.00 0.00 H new ATOM 0 HD11 LEU A 65 72.545 5.339 -3.751 1.00 0.00 H new ATOM 0 HD12 LEU A 65 71.673 6.435 -4.848 1.00 0.00 H new ATOM 0 HD13 LEU A 65 73.428 6.207 -5.029 1.00 0.00 H new ATOM 0 HD21 LEU A 65 74.099 6.264 -2.023 1.00 0.00 H new ATOM 0 HD22 LEU A 65 74.996 7.116 -3.302 1.00 0.00 H new ATOM 0 HD23 LEU A 65 74.358 8.021 -1.908 1.00 0.00 H new ATOM 983 N HIS A 66 74.244 11.844 -4.168 1.00 0.00 N ATOM 984 CA HIS A 66 74.372 13.092 -4.915 1.00 0.00 C ATOM 985 C HIS A 66 75.792 13.216 -5.477 1.00 0.00 C ATOM 986 O HIS A 66 76.729 12.620 -4.942 1.00 0.00 O ATOM 987 CB HIS A 66 74.076 14.279 -3.994 1.00 0.00 C ATOM 988 CG HIS A 66 75.029 14.246 -2.831 1.00 0.00 C ATOM 989 ND1 HIS A 66 74.855 13.382 -1.760 1.00 0.00 N ATOM 990 CD2 HIS A 66 76.175 14.952 -2.563 1.00 0.00 C ATOM 991 CE1 HIS A 66 75.875 13.588 -0.905 1.00 0.00 C ATOM 992 NE2 HIS A 66 76.707 14.536 -1.347 1.00 0.00 N ATOM 0 H HIS A 66 75.120 11.498 -3.775 1.00 0.00 H new ATOM 0 HA HIS A 66 73.659 13.090 -5.739 1.00 0.00 H new ATOM 0 HB2 HIS A 66 74.182 15.216 -4.541 1.00 0.00 H new ATOM 0 HB3 HIS A 66 73.047 14.232 -3.639 1.00 0.00 H new ATOM 0 HD2 HIS A 66 76.599 15.715 -3.199 1.00 0.00 H new ATOM 0 HE1 HIS A 66 76.005 13.053 0.024 1.00 0.00 H new ATOM 0 HE2 HIS A 66 77.551 14.881 -0.890 1.00 0.00 H new ATOM 1000 N LYS A 67 75.946 13.984 -6.555 1.00 0.00 N ATOM 1001 CA LYS A 67 77.259 14.164 -7.173 1.00 0.00 C ATOM 1002 C LYS A 67 77.911 12.804 -7.427 1.00 0.00 C ATOM 1003 O LYS A 67 79.025 12.543 -6.974 1.00 0.00 O ATOM 1004 CB LYS A 67 78.168 15.009 -6.265 1.00 0.00 C ATOM 1005 CG LYS A 67 77.558 16.403 -6.030 1.00 0.00 C ATOM 1006 CD LYS A 67 77.831 17.324 -7.229 1.00 0.00 C ATOM 1007 CE LYS A 67 77.242 18.709 -6.942 1.00 0.00 C ATOM 1008 NZ LYS A 67 77.550 19.628 -8.075 1.00 0.00 N1+ ATOM 0 H LYS A 67 75.187 14.487 -7.015 1.00 0.00 H new ATOM 0 HA LYS A 67 77.125 14.683 -8.122 1.00 0.00 H new ATOM 0 HB2 LYS A 67 78.309 14.502 -5.310 1.00 0.00 H new ATOM 0 HB3 LYS A 67 79.153 15.110 -6.721 1.00 0.00 H new ATOM 0 HG2 LYS A 67 76.483 16.313 -5.871 1.00 0.00 H new ATOM 0 HG3 LYS A 67 77.978 16.842 -5.125 1.00 0.00 H new ATOM 0 HD2 LYS A 67 78.904 17.401 -7.407 1.00 0.00 H new ATOM 0 HD3 LYS A 67 77.387 16.906 -8.133 1.00 0.00 H new ATOM 0 HE2 LYS A 67 76.163 18.635 -6.803 1.00 0.00 H new ATOM 0 HE3 LYS A 67 77.656 19.106 -6.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 77.150 20.568 -7.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 78.581 19.708 -8.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 77.135 19.251 -8.951 1.00 0.00 H new ATOM 1022 N VAL A 68 77.200 11.941 -8.155 1.00 0.00 N ATOM 1023 CA VAL A 68 77.702 10.598 -8.469 1.00 0.00 C ATOM 1024 C VAL A 68 78.036 10.478 -9.955 1.00 0.00 C ATOM 1025 O VAL A 68 77.225 10.823 -10.816 1.00 0.00 O ATOM 1026 CB VAL A 68 76.651 9.546 -8.092 1.00 0.00 C ATOM 1027 CG1 VAL A 68 76.522 9.477 -6.571 1.00 0.00 C ATOM 1028 CG2 VAL A 68 75.289 9.925 -8.687 1.00 0.00 C ATOM 0 H VAL A 68 76.277 12.145 -8.538 1.00 0.00 H new ATOM 0 HA VAL A 68 78.611 10.429 -7.892 1.00 0.00 H new ATOM 0 HB VAL A 68 76.964 8.579 -8.486 1.00 0.00 H new ATOM 0 HG11 VAL A 68 75.775 8.730 -6.303 1.00 0.00 H new ATOM 0 HG12 VAL A 68 77.483 9.202 -6.136 1.00 0.00 H new ATOM 0 HG13 VAL A 68 76.215 10.450 -6.187 1.00 0.00 H new ATOM 0 HG21 VAL A 68 74.550 9.172 -8.413 1.00 0.00 H new ATOM 0 HG22 VAL A 68 74.979 10.895 -8.298 1.00 0.00 H new ATOM 0 HG23 VAL A 68 75.368 9.978 -9.773 1.00 0.00 H new ATOM 1038 N THR A 69 79.238 9.980 -10.250 1.00 0.00 N ATOM 1039 CA THR A 69 79.670 9.807 -11.637 1.00 0.00 C ATOM 1040 C THR A 69 79.196 8.458 -12.168 1.00 0.00 C ATOM 1041 O THR A 69 78.239 7.882 -11.654 1.00 0.00 O ATOM 1042 CB THR A 69 81.198 9.884 -11.734 1.00 0.00 C ATOM 1043 OG1 THR A 69 81.773 8.828 -10.980 1.00 0.00 O ATOM 1044 CG2 THR A 69 81.684 11.225 -11.187 1.00 0.00 C ATOM 0 H THR A 69 79.925 9.692 -9.553 1.00 0.00 H new ATOM 0 HA THR A 69 79.234 10.606 -12.236 1.00 0.00 H new ATOM 0 HB THR A 69 81.498 9.792 -12.778 1.00 0.00 H new ATOM 0 HG1 THR A 69 82.750 8.875 -11.043 1.00 0.00 H new ATOM 0 HG21 THR A 69 82.771 11.275 -11.258 1.00 0.00 H new ATOM 0 HG22 THR A 69 81.245 12.036 -11.768 1.00 0.00 H new ATOM 0 HG23 THR A 69 81.384 11.323 -10.144 1.00 0.00 H new ATOM 1052 N LEU A 70 79.868 7.960 -13.197 1.00 0.00 N ATOM 1053 CA LEU A 70 79.502 6.678 -13.785 1.00 0.00 C ATOM 1054 C LEU A 70 79.602 5.566 -12.744 1.00 0.00 C ATOM 1055 O LEU A 70 79.060 4.475 -12.930 1.00 0.00 O ATOM 1056 CB LEU A 70 80.410 6.373 -14.987 1.00 0.00 C ATOM 1057 CG LEU A 70 80.089 4.989 -15.577 1.00 0.00 C ATOM 1058 CD1 LEU A 70 78.598 4.890 -15.928 1.00 0.00 C ATOM 1059 CD2 LEU A 70 80.918 4.794 -16.852 1.00 0.00 C ATOM 0 H LEU A 70 80.664 8.420 -13.639 1.00 0.00 H new ATOM 0 HA LEU A 70 78.470 6.732 -14.130 1.00 0.00 H new ATOM 0 HB2 LEU A 70 80.278 7.139 -15.752 1.00 0.00 H new ATOM 0 HB3 LEU A 70 81.455 6.408 -14.678 1.00 0.00 H new ATOM 0 HG LEU A 70 80.330 4.221 -14.842 1.00 0.00 H new ATOM 0 HD11 LEU A 70 78.387 3.905 -16.344 1.00 0.00 H new ATOM 0 HD12 LEU A 70 78.002 5.039 -15.028 1.00 0.00 H new ATOM 0 HD13 LEU A 70 78.345 5.656 -16.661 1.00 0.00 H new ATOM 0 HD21 LEU A 70 80.700 3.816 -17.281 1.00 0.00 H new ATOM 0 HD22 LEU A 70 80.665 5.571 -17.573 1.00 0.00 H new ATOM 0 HD23 LEU A 70 81.979 4.856 -16.609 1.00 0.00 H new ATOM 1071 N GLU A 71 80.289 5.853 -11.642 1.00 0.00 N ATOM 1072 CA GLU A 71 80.443 4.876 -10.570 1.00 0.00 C ATOM 1073 C GLU A 71 79.096 4.620 -9.901 1.00 0.00 C ATOM 1074 O GLU A 71 78.980 3.763 -9.025 1.00 0.00 O ATOM 1075 CB GLU A 71 81.436 5.402 -9.530 1.00 0.00 C ATOM 1076 CG GLU A 71 82.832 5.482 -10.152 1.00 0.00 C ATOM 1077 CD GLU A 71 83.798 6.147 -9.177 1.00 0.00 C ATOM 1078 OE1 GLU A 71 83.365 6.494 -8.090 1.00 0.00 O ATOM 1079 OE2 GLU A 71 84.954 6.302 -9.532 1.00 0.00 O1- ATOM 0 H GLU A 71 80.745 6.749 -11.469 1.00 0.00 H new ATOM 0 HA GLU A 71 80.818 3.944 -10.992 1.00 0.00 H new ATOM 0 HB2 GLU A 71 81.125 6.386 -9.180 1.00 0.00 H new ATOM 0 HB3 GLU A 71 81.451 4.745 -8.661 1.00 0.00 H new ATOM 0 HG2 GLU A 71 83.186 4.482 -10.403 1.00 0.00 H new ATOM 0 HG3 GLU A 71 82.793 6.049 -11.082 1.00 0.00 H new ATOM 1086 N ASP A 72 78.086 5.380 -10.311 1.00 0.00 N ATOM 1087 CA ASP A 72 76.753 5.242 -9.735 1.00 0.00 C ATOM 1088 C ASP A 72 76.266 3.798 -9.799 1.00 0.00 C ATOM 1089 O ASP A 72 75.501 3.361 -8.939 1.00 0.00 O ATOM 1090 CB ASP A 72 75.769 6.162 -10.459 1.00 0.00 C ATOM 1091 CG ASP A 72 75.863 5.961 -11.967 1.00 0.00 C ATOM 1092 OD1 ASP A 72 76.732 5.219 -12.395 1.00 0.00 O ATOM 1093 OD2 ASP A 72 75.065 6.555 -12.673 1.00 0.00 O1- ATOM 0 H ASP A 72 78.164 6.094 -11.036 1.00 0.00 H new ATOM 0 HA ASP A 72 76.809 5.531 -8.685 1.00 0.00 H new ATOM 0 HB2 ASP A 72 74.753 5.956 -10.121 1.00 0.00 H new ATOM 0 HB3 ASP A 72 75.983 7.201 -10.210 1.00 0.00 H new ATOM 1098 N ALA A 73 76.708 3.050 -10.805 1.00 0.00 N ATOM 1099 CA ALA A 73 76.291 1.657 -10.919 1.00 0.00 C ATOM 1100 C ALA A 73 76.793 0.869 -9.709 1.00 0.00 C ATOM 1101 O ALA A 73 77.944 1.014 -9.301 1.00 0.00 O ATOM 1102 CB ALA A 73 76.848 1.042 -12.209 1.00 0.00 C ATOM 0 H ALA A 73 77.340 3.375 -11.537 1.00 0.00 H new ATOM 0 HA ALA A 73 75.202 1.614 -10.951 1.00 0.00 H new ATOM 0 HB1 ALA A 73 76.530 0.002 -12.283 1.00 0.00 H new ATOM 0 HB2 ALA A 73 76.473 1.598 -13.068 1.00 0.00 H new ATOM 0 HB3 ALA A 73 77.937 1.088 -12.194 1.00 0.00 H new ATOM 1108 N GLY A 74 75.921 0.042 -9.134 1.00 0.00 N ATOM 1109 CA GLY A 74 76.294 -0.753 -7.966 1.00 0.00 C ATOM 1110 C GLY A 74 75.176 -1.717 -7.573 1.00 0.00 C ATOM 1111 O GLY A 74 74.047 -1.601 -8.049 1.00 0.00 O ATOM 0 H GLY A 74 74.962 -0.094 -9.454 1.00 0.00 H new ATOM 0 HA2 GLY A 74 77.203 -1.315 -8.181 1.00 0.00 H new ATOM 0 HA3 GLY A 74 76.518 -0.091 -7.129 1.00 0.00 H new ATOM 1115 N THR A 75 75.500 -2.677 -6.700 1.00 0.00 N ATOM 1116 CA THR A 75 74.520 -3.670 -6.239 1.00 0.00 C ATOM 1117 C THR A 75 74.399 -3.643 -4.716 1.00 0.00 C ATOM 1118 O THR A 75 75.301 -4.092 -4.008 1.00 0.00 O ATOM 1119 CB THR A 75 74.957 -5.074 -6.698 1.00 0.00 C ATOM 1120 OG1 THR A 75 76.376 -5.141 -6.701 1.00 0.00 O ATOM 1121 CG2 THR A 75 74.431 -5.358 -8.108 1.00 0.00 C ATOM 0 H THR A 75 76.431 -2.788 -6.298 1.00 0.00 H new ATOM 0 HA THR A 75 73.548 -3.427 -6.668 1.00 0.00 H new ATOM 0 HB THR A 75 74.550 -5.818 -6.013 1.00 0.00 H new ATOM 0 HG1 THR A 75 76.661 -6.033 -6.991 1.00 0.00 H new ATOM 0 HG21 THR A 75 74.747 -6.353 -8.421 1.00 0.00 H new ATOM 0 HG22 THR A 75 73.342 -5.306 -8.107 1.00 0.00 H new ATOM 0 HG23 THR A 75 74.829 -4.617 -8.801 1.00 0.00 H new ATOM 1129 N VAL A 76 73.272 -3.137 -4.212 1.00 0.00 N ATOM 1130 CA VAL A 76 73.050 -3.083 -2.762 1.00 0.00 C ATOM 1131 C VAL A 76 72.131 -4.225 -2.340 1.00 0.00 C ATOM 1132 O VAL A 76 70.998 -4.327 -2.808 1.00 0.00 O ATOM 1133 CB VAL A 76 72.417 -1.745 -2.353 1.00 0.00 C ATOM 1134 CG1 VAL A 76 72.495 -1.583 -0.832 1.00 0.00 C ATOM 1135 CG2 VAL A 76 73.157 -0.582 -3.019 1.00 0.00 C ATOM 0 H VAL A 76 72.508 -2.763 -4.775 1.00 0.00 H new ATOM 0 HA VAL A 76 74.015 -3.179 -2.265 1.00 0.00 H new ATOM 0 HB VAL A 76 71.375 -1.739 -2.674 1.00 0.00 H new ATOM 0 HG11 VAL A 76 72.045 -0.633 -0.544 1.00 0.00 H new ATOM 0 HG12 VAL A 76 71.957 -2.400 -0.351 1.00 0.00 H new ATOM 0 HG13 VAL A 76 73.538 -1.601 -0.517 1.00 0.00 H new ATOM 0 HG21 VAL A 76 72.698 0.360 -2.720 1.00 0.00 H new ATOM 0 HG22 VAL A 76 74.202 -0.591 -2.709 1.00 0.00 H new ATOM 0 HG23 VAL A 76 73.099 -0.687 -4.102 1.00 0.00 H new ATOM 1145 N SER A 77 72.627 -5.085 -1.451 1.00 0.00 N ATOM 1146 CA SER A 77 71.850 -6.225 -0.964 1.00 0.00 C ATOM 1147 C SER A 77 72.023 -6.379 0.536 1.00 0.00 C ATOM 1148 O SER A 77 73.059 -6.015 1.092 1.00 0.00 O ATOM 1149 CB SER A 77 72.307 -7.511 -1.650 1.00 0.00 C ATOM 1150 OG SER A 77 71.486 -8.588 -1.217 1.00 0.00 O ATOM 0 H SER A 77 73.564 -5.014 -1.053 1.00 0.00 H new ATOM 0 HA SER A 77 70.800 -6.042 -1.193 1.00 0.00 H new ATOM 0 HB2 SER A 77 72.244 -7.402 -2.733 1.00 0.00 H new ATOM 0 HB3 SER A 77 73.351 -7.714 -1.410 1.00 0.00 H new ATOM 0 HG SER A 77 70.599 -8.247 -0.977 1.00 0.00 H new ATOM 1156 N PHE A 78 71.006 -6.941 1.186 1.00 0.00 N ATOM 1157 CA PHE A 78 71.051 -7.164 2.630 1.00 0.00 C ATOM 1158 C PHE A 78 70.528 -8.563 2.956 1.00 0.00 C ATOM 1159 O PHE A 78 69.654 -9.089 2.260 1.00 0.00 O ATOM 1160 CB PHE A 78 70.224 -6.086 3.367 1.00 0.00 C ATOM 1161 CG PHE A 78 68.744 -6.433 3.368 1.00 0.00 C ATOM 1162 CD1 PHE A 78 68.088 -6.749 2.174 1.00 0.00 C ATOM 1163 CD2 PHE A 78 68.028 -6.437 4.576 1.00 0.00 C ATOM 1164 CE1 PHE A 78 66.726 -7.068 2.186 1.00 0.00 C ATOM 1165 CE2 PHE A 78 66.667 -6.756 4.585 1.00 0.00 C ATOM 1166 CZ PHE A 78 66.016 -7.072 3.390 1.00 0.00 C ATOM 0 H PHE A 78 70.143 -7.250 0.738 1.00 0.00 H new ATOM 0 HA PHE A 78 72.084 -7.090 2.969 1.00 0.00 H new ATOM 0 HB2 PHE A 78 70.578 -5.991 4.393 1.00 0.00 H new ATOM 0 HB3 PHE A 78 70.373 -5.119 2.887 1.00 0.00 H new ATOM 0 HD1 PHE A 78 68.633 -6.747 1.242 1.00 0.00 H new ATOM 0 HD2 PHE A 78 68.530 -6.193 5.501 1.00 0.00 H new ATOM 0 HE1 PHE A 78 66.222 -7.312 1.263 1.00 0.00 H new ATOM 0 HE2 PHE A 78 66.119 -6.758 5.516 1.00 0.00 H new ATOM 0 HZ PHE A 78 64.965 -7.319 3.396 1.00 0.00 H new ATOM 1176 N HIS A 79 71.077 -9.163 4.013 1.00 0.00 N ATOM 1177 CA HIS A 79 70.678 -10.510 4.425 1.00 0.00 C ATOM 1178 C HIS A 79 70.241 -10.533 5.881 1.00 0.00 C ATOM 1179 O HIS A 79 70.995 -10.156 6.777 1.00 0.00 O ATOM 1180 CB HIS A 79 71.849 -11.472 4.234 1.00 0.00 C ATOM 1181 CG HIS A 79 72.118 -11.632 2.765 1.00 0.00 C ATOM 1182 ND1 HIS A 79 71.445 -12.564 1.995 1.00 0.00 N ATOM 1183 CD2 HIS A 79 72.960 -10.970 1.908 1.00 0.00 C ATOM 1184 CE1 HIS A 79 71.886 -12.438 0.730 1.00 0.00 C ATOM 1185 NE2 HIS A 79 72.811 -11.481 0.621 1.00 0.00 N ATOM 0 H HIS A 79 71.797 -8.739 4.598 1.00 0.00 H new ATOM 0 HA HIS A 79 69.835 -10.819 3.807 1.00 0.00 H new ATOM 0 HB2 HIS A 79 72.736 -11.090 4.739 1.00 0.00 H new ATOM 0 HB3 HIS A 79 71.619 -12.439 4.682 1.00 0.00 H new ATOM 0 HD2 HIS A 79 73.635 -10.175 2.188 1.00 0.00 H new ATOM 0 HE1 HIS A 79 71.535 -13.038 -0.097 1.00 0.00 H new ATOM 0 HE2 HIS A 79 73.303 -11.187 -0.223 1.00 0.00 H new ATOM 1193 N VAL A 80 69.018 -11.004 6.110 1.00 0.00 N ATOM 1194 CA VAL A 80 68.476 -11.110 7.461 1.00 0.00 C ATOM 1195 C VAL A 80 67.945 -12.528 7.679 1.00 0.00 C ATOM 1196 O VAL A 80 67.210 -13.065 6.846 1.00 0.00 O ATOM 1197 CB VAL A 80 67.371 -10.068 7.673 1.00 0.00 C ATOM 1198 CG1 VAL A 80 66.355 -10.141 6.534 1.00 0.00 C ATOM 1199 CG2 VAL A 80 66.665 -10.327 9.004 1.00 0.00 C ATOM 0 H VAL A 80 68.383 -11.319 5.376 1.00 0.00 H new ATOM 0 HA VAL A 80 69.262 -10.913 8.189 1.00 0.00 H new ATOM 0 HB VAL A 80 67.821 -9.075 7.687 1.00 0.00 H new ATOM 0 HG11 VAL A 80 65.575 -9.397 6.694 1.00 0.00 H new ATOM 0 HG12 VAL A 80 66.856 -9.943 5.586 1.00 0.00 H new ATOM 0 HG13 VAL A 80 65.909 -11.135 6.508 1.00 0.00 H new ATOM 0 HG21 VAL A 80 65.881 -9.584 9.150 1.00 0.00 H new ATOM 0 HG22 VAL A 80 66.224 -11.324 8.994 1.00 0.00 H new ATOM 0 HG23 VAL A 80 67.387 -10.258 9.818 1.00 0.00 H new ATOM 1209 N GLY A 81 68.353 -13.131 8.791 1.00 0.00 N ATOM 1210 CA GLY A 81 67.965 -14.500 9.134 1.00 0.00 C ATOM 1211 C GLY A 81 66.574 -14.875 8.623 1.00 0.00 C ATOM 1212 O GLY A 81 66.318 -16.039 8.313 1.00 0.00 O ATOM 0 H GLY A 81 68.961 -12.688 9.480 1.00 0.00 H new ATOM 0 HA2 GLY A 81 68.697 -15.193 8.720 1.00 0.00 H new ATOM 0 HA3 GLY A 81 67.992 -14.618 10.217 1.00 0.00 H new ATOM 1216 N THR A 82 65.676 -13.903 8.546 1.00 0.00 N ATOM 1217 CA THR A 82 64.319 -14.181 8.077 1.00 0.00 C ATOM 1218 C THR A 82 64.285 -14.279 6.553 1.00 0.00 C ATOM 1219 O THR A 82 64.191 -15.372 5.998 1.00 0.00 O ATOM 1220 CB THR A 82 63.355 -13.086 8.546 1.00 0.00 C ATOM 1221 OG1 THR A 82 63.766 -11.836 8.016 1.00 0.00 O ATOM 1222 CG2 THR A 82 63.352 -13.019 10.072 1.00 0.00 C ATOM 0 H THR A 82 65.854 -12.930 8.796 1.00 0.00 H new ATOM 0 HA THR A 82 64.005 -15.136 8.498 1.00 0.00 H new ATOM 0 HB THR A 82 62.349 -13.317 8.196 1.00 0.00 H new ATOM 0 HG1 THR A 82 63.108 -11.527 7.359 1.00 0.00 H new ATOM 0 HG21 THR A 82 62.665 -12.239 10.401 1.00 0.00 H new ATOM 0 HG22 THR A 82 63.032 -13.979 10.478 1.00 0.00 H new ATOM 0 HG23 THR A 82 64.357 -12.791 10.428 1.00 0.00 H new ATOM 1230 N CYS A 83 64.353 -13.129 5.882 1.00 0.00 N ATOM 1231 CA CYS A 83 64.320 -13.085 4.410 1.00 0.00 C ATOM 1232 C CYS A 83 65.669 -12.643 3.836 1.00 0.00 C ATOM 1233 O CYS A 83 66.506 -12.096 4.547 1.00 0.00 O ATOM 1234 CB CYS A 83 63.232 -12.111 3.953 1.00 0.00 C ATOM 1235 SG CYS A 83 63.085 -12.165 2.151 1.00 0.00 S ATOM 0 H CYS A 83 64.431 -12.215 6.328 1.00 0.00 H new ATOM 0 HA CYS A 83 64.104 -14.089 4.045 1.00 0.00 H new ATOM 0 HB2 CYS A 83 62.279 -12.373 4.413 1.00 0.00 H new ATOM 0 HB3 CYS A 83 63.476 -11.099 4.278 1.00 0.00 H new ATOM 0 HG CYS A 83 62.158 -11.338 1.766 1.00 0.00 H new ATOM 1241 N SER A 84 65.866 -12.884 2.536 1.00 0.00 N ATOM 1242 CA SER A 84 67.109 -12.506 1.858 1.00 0.00 C ATOM 1243 C SER A 84 66.796 -11.977 0.460 1.00 0.00 C ATOM 1244 O SER A 84 66.000 -12.576 -0.268 1.00 0.00 O ATOM 1245 CB SER A 84 68.024 -13.726 1.747 1.00 0.00 C ATOM 1246 OG SER A 84 69.291 -13.322 1.249 1.00 0.00 O ATOM 0 H SER A 84 65.181 -13.339 1.933 1.00 0.00 H new ATOM 0 HA SER A 84 67.608 -11.727 2.435 1.00 0.00 H new ATOM 0 HB2 SER A 84 68.138 -14.198 2.723 1.00 0.00 H new ATOM 0 HB3 SER A 84 67.580 -14.468 1.083 1.00 0.00 H new ATOM 0 HG SER A 84 69.893 -13.135 1.999 1.00 0.00 H new ATOM 1252 N SER A 85 67.415 -10.855 0.085 1.00 0.00 N ATOM 1253 CA SER A 85 67.166 -10.275 -1.236 1.00 0.00 C ATOM 1254 C SER A 85 68.277 -9.319 -1.659 1.00 0.00 C ATOM 1255 O SER A 85 69.120 -8.924 -0.855 1.00 0.00 O ATOM 1256 CB SER A 85 65.837 -9.524 -1.233 1.00 0.00 C ATOM 1257 OG SER A 85 64.828 -10.365 -0.693 1.00 0.00 O ATOM 0 H SER A 85 68.078 -10.339 0.663 1.00 0.00 H new ATOM 0 HA SER A 85 67.134 -11.098 -1.950 1.00 0.00 H new ATOM 0 HB2 SER A 85 65.922 -8.612 -0.642 1.00 0.00 H new ATOM 0 HB3 SER A 85 65.573 -9.223 -2.247 1.00 0.00 H new ATOM 0 HG SER A 85 65.079 -11.303 -0.825 1.00 0.00 H new ATOM 1263 N GLU A 86 68.254 -8.948 -2.939 1.00 0.00 N ATOM 1264 CA GLU A 86 69.243 -8.028 -3.500 1.00 0.00 C ATOM 1265 C GLU A 86 68.567 -7.064 -4.467 1.00 0.00 C ATOM 1266 O GLU A 86 67.439 -7.299 -4.905 1.00 0.00 O ATOM 1267 CB GLU A 86 70.344 -8.806 -4.230 1.00 0.00 C ATOM 1268 CG GLU A 86 69.752 -9.586 -5.404 1.00 0.00 C ATOM 1269 CD GLU A 86 70.847 -10.410 -6.075 1.00 0.00 C ATOM 1270 OE1 GLU A 86 71.701 -9.815 -6.713 1.00 0.00 O ATOM 1271 OE2 GLU A 86 70.817 -11.621 -5.938 1.00 0.00 O1- ATOM 0 H GLU A 86 67.557 -9.272 -3.610 1.00 0.00 H new ATOM 0 HA GLU A 86 69.694 -7.463 -2.684 1.00 0.00 H new ATOM 0 HB2 GLU A 86 71.108 -8.117 -4.590 1.00 0.00 H new ATOM 0 HB3 GLU A 86 70.834 -9.492 -3.539 1.00 0.00 H new ATOM 0 HG2 GLU A 86 68.954 -10.240 -5.053 1.00 0.00 H new ATOM 0 HG3 GLU A 86 69.308 -8.898 -6.124 1.00 0.00 H new ATOM 1278 N ALA A 87 69.263 -5.979 -4.798 1.00 0.00 N ATOM 1279 CA ALA A 87 68.732 -4.975 -5.722 1.00 0.00 C ATOM 1280 C ALA A 87 69.799 -4.594 -6.736 1.00 0.00 C ATOM 1281 O ALA A 87 70.992 -4.620 -6.437 1.00 0.00 O ATOM 1282 CB ALA A 87 68.284 -3.730 -4.953 1.00 0.00 C ATOM 0 H ALA A 87 70.196 -5.771 -4.441 1.00 0.00 H new ATOM 0 HA ALA A 87 67.872 -5.397 -6.242 1.00 0.00 H new ATOM 0 HB1 ALA A 87 67.891 -2.992 -5.652 1.00 0.00 H new ATOM 0 HB2 ALA A 87 67.507 -4.003 -4.240 1.00 0.00 H new ATOM 0 HB3 ALA A 87 69.135 -3.307 -4.418 1.00 0.00 H new ATOM 1288 N GLN A 88 69.361 -4.254 -7.945 1.00 0.00 N ATOM 1289 CA GLN A 88 70.283 -3.885 -9.019 1.00 0.00 C ATOM 1290 C GLN A 88 70.127 -2.417 -9.402 1.00 0.00 C ATOM 1291 O GLN A 88 69.023 -1.950 -9.705 1.00 0.00 O ATOM 1292 CB GLN A 88 69.991 -4.743 -10.244 1.00 0.00 C ATOM 1293 CG GLN A 88 70.383 -6.194 -9.963 1.00 0.00 C ATOM 1294 CD GLN A 88 69.901 -7.086 -11.101 1.00 0.00 C ATOM 1295 OE1 GLN A 88 68.697 -7.207 -11.324 1.00 0.00 O ATOM 1296 NE2 GLN A 88 70.769 -7.719 -11.839 1.00 0.00 N ATOM 0 H GLN A 88 68.376 -4.226 -8.207 1.00 0.00 H new ATOM 0 HA GLN A 88 71.301 -4.047 -8.666 1.00 0.00 H new ATOM 0 HB2 GLN A 88 68.932 -4.685 -10.497 1.00 0.00 H new ATOM 0 HB3 GLN A 88 70.545 -4.367 -11.104 1.00 0.00 H new ATOM 0 HG2 GLN A 88 71.465 -6.275 -9.858 1.00 0.00 H new ATOM 0 HG3 GLN A 88 69.946 -6.523 -9.020 1.00 0.00 H new ATOM 0 HE21 GLN A 88 71.767 -7.618 -11.653 1.00 0.00 H new ATOM 0 HE22 GLN A 88 70.451 -8.316 -12.603 1.00 0.00 H new ATOM 1305 N LEU A 89 71.250 -1.697 -9.405 1.00 0.00 N ATOM 1306 CA LEU A 89 71.248 -0.282 -9.776 1.00 0.00 C ATOM 1307 C LEU A 89 71.993 -0.116 -11.097 1.00 0.00 C ATOM 1308 O LEU A 89 73.207 -0.318 -11.165 1.00 0.00 O ATOM 1309 CB LEU A 89 71.937 0.547 -8.680 1.00 0.00 C ATOM 1310 CG LEU A 89 71.524 2.022 -8.798 1.00 0.00 C ATOM 1311 CD1 LEU A 89 72.106 2.811 -7.619 1.00 0.00 C ATOM 1312 CD2 LEU A 89 72.032 2.613 -10.123 1.00 0.00 C ATOM 0 H LEU A 89 72.167 -2.068 -9.156 1.00 0.00 H new ATOM 0 HA LEU A 89 70.221 0.067 -9.886 1.00 0.00 H new ATOM 0 HB2 LEU A 89 71.665 0.162 -7.697 1.00 0.00 H new ATOM 0 HB3 LEU A 89 73.019 0.456 -8.770 1.00 0.00 H new ATOM 0 HG LEU A 89 70.436 2.090 -8.780 1.00 0.00 H new ATOM 0 HD11 LEU A 89 71.813 3.858 -7.702 1.00 0.00 H new ATOM 0 HD12 LEU A 89 71.726 2.401 -6.684 1.00 0.00 H new ATOM 0 HD13 LEU A 89 73.193 2.736 -7.632 1.00 0.00 H new ATOM 0 HD21 LEU A 89 71.732 3.659 -10.194 1.00 0.00 H new ATOM 0 HD22 LEU A 89 73.119 2.544 -10.159 1.00 0.00 H new ATOM 0 HD23 LEU A 89 71.605 2.056 -10.957 1.00 0.00 H new ATOM 1324 N LYS A 90 71.257 0.250 -12.148 1.00 0.00 N ATOM 1325 CA LYS A 90 71.848 0.443 -13.477 1.00 0.00 C ATOM 1326 C LYS A 90 71.774 1.912 -13.874 1.00 0.00 C ATOM 1327 O LYS A 90 71.128 2.717 -13.203 1.00 0.00 O ATOM 1328 CB LYS A 90 71.115 -0.448 -14.511 1.00 0.00 C ATOM 1329 CG LYS A 90 72.101 -0.978 -15.569 1.00 0.00 C ATOM 1330 CD LYS A 90 71.411 -2.017 -16.462 1.00 0.00 C ATOM 1331 CE LYS A 90 70.394 -1.340 -17.382 1.00 0.00 C ATOM 1332 NZ LYS A 90 69.974 -2.305 -18.437 1.00 0.00 N1+ ATOM 0 H LYS A 90 70.252 0.419 -12.107 1.00 0.00 H new ATOM 0 HA LYS A 90 72.898 0.151 -13.452 1.00 0.00 H new ATOM 0 HB2 LYS A 90 70.635 -1.284 -14.003 1.00 0.00 H new ATOM 0 HB3 LYS A 90 70.325 0.125 -14.997 1.00 0.00 H new ATOM 0 HG2 LYS A 90 72.471 -0.153 -16.178 1.00 0.00 H new ATOM 0 HG3 LYS A 90 72.966 -1.426 -15.079 1.00 0.00 H new ATOM 0 HD2 LYS A 90 72.155 -2.545 -17.058 1.00 0.00 H new ATOM 0 HD3 LYS A 90 70.911 -2.763 -15.844 1.00 0.00 H new ATOM 0 HE2 LYS A 90 69.528 -1.010 -16.808 1.00 0.00 H new ATOM 0 HE3 LYS A 90 70.832 -0.452 -17.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 69.282 -1.851 -19.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 70.805 -2.599 -18.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 69.542 -3.140 -17.992 1.00 0.00 H new ATOM 1346 N VAL A 91 72.453 2.261 -14.962 1.00 0.00 N ATOM 1347 CA VAL A 91 72.480 3.643 -15.436 1.00 0.00 C ATOM 1348 C VAL A 91 71.714 3.772 -16.745 1.00 0.00 C ATOM 1349 O VAL A 91 71.984 3.055 -17.707 1.00 0.00 O ATOM 1350 CB VAL A 91 73.936 4.064 -15.635 1.00 0.00 C ATOM 1351 CG1 VAL A 91 74.008 5.532 -16.055 1.00 0.00 C ATOM 1352 CG2 VAL A 91 74.688 3.868 -14.318 1.00 0.00 C ATOM 0 H VAL A 91 72.991 1.609 -15.532 1.00 0.00 H new ATOM 0 HA VAL A 91 72.004 4.291 -14.700 1.00 0.00 H new ATOM 0 HB VAL A 91 74.388 3.455 -16.418 1.00 0.00 H new ATOM 0 HG11 VAL A 91 75.050 5.820 -16.194 1.00 0.00 H new ATOM 0 HG12 VAL A 91 73.466 5.670 -16.991 1.00 0.00 H new ATOM 0 HG13 VAL A 91 73.559 6.154 -15.281 1.00 0.00 H new ATOM 0 HG21 VAL A 91 75.729 4.165 -14.446 1.00 0.00 H new ATOM 0 HG22 VAL A 91 74.229 4.480 -13.542 1.00 0.00 H new ATOM 0 HG23 VAL A 91 74.643 2.819 -14.026 1.00 0.00 H new ATOM 1362 N THR A 92 70.747 4.689 -16.770 1.00 0.00 N ATOM 1363 CA THR A 92 69.935 4.903 -17.964 1.00 0.00 C ATOM 1364 C THR A 92 70.677 5.763 -18.983 1.00 0.00 C ATOM 1365 O THR A 92 71.198 6.828 -18.652 1.00 0.00 O ATOM 1366 CB THR A 92 68.617 5.579 -17.576 1.00 0.00 C ATOM 1367 OG1 THR A 92 67.902 4.738 -16.682 1.00 0.00 O ATOM 1368 CG2 THR A 92 67.769 5.838 -18.822 1.00 0.00 C ATOM 0 H THR A 92 70.509 5.291 -15.982 1.00 0.00 H new ATOM 0 HA THR A 92 69.730 3.934 -18.419 1.00 0.00 H new ATOM 0 HB THR A 92 68.834 6.531 -17.092 1.00 0.00 H new ATOM 0 HG1 THR A 92 67.371 5.288 -16.069 1.00 0.00 H new ATOM 0 HG21 THR A 92 66.835 6.319 -18.533 1.00 0.00 H new ATOM 0 HG22 THR A 92 68.315 6.488 -19.505 1.00 0.00 H new ATOM 0 HG23 THR A 92 67.552 4.892 -19.317 1.00 0.00 H new ATOM 1376 N ALA A 93 70.719 5.287 -20.228 1.00 0.00 N ATOM 1377 CA ALA A 93 71.397 6.012 -21.304 1.00 0.00 C ATOM 1378 C ALA A 93 70.434 6.980 -21.981 1.00 0.00 C ATOM 1379 O ALA A 93 70.825 7.761 -22.850 1.00 0.00 O ATOM 1380 CB ALA A 93 71.937 5.019 -22.337 1.00 0.00 C ATOM 0 H ALA A 93 70.293 4.406 -20.516 1.00 0.00 H new ATOM 0 HA ALA A 93 72.224 6.579 -20.876 1.00 0.00 H new ATOM 0 HB1 ALA A 93 72.441 5.563 -23.136 1.00 0.00 H new ATOM 0 HB2 ALA A 93 72.644 4.343 -21.857 1.00 0.00 H new ATOM 0 HB3 ALA A 93 71.111 4.443 -22.755 1.00 0.00 H new ATOM 1386 N GLY A 94 69.172 6.922 -21.572 1.00 0.00 N ATOM 1387 CA GLY A 94 68.144 7.793 -22.133 1.00 0.00 C ATOM 1388 C GLY A 94 66.764 7.158 -22.001 1.00 0.00 C ATOM 1389 O GLY A 94 65.804 7.899 -21.872 1.00 0.00 O ATOM 0 H GLY A 94 68.835 6.281 -20.854 1.00 0.00 H new ATOM 0 HA2 GLY A 94 68.157 8.755 -21.621 1.00 0.00 H new ATOM 0 HA3 GLY A 94 68.360 7.988 -23.183 1.00 0.00 H new TER 1393 GLY A 94